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579-07-7

579-07-7 | 1-Phenylpropane-1,2-dione

CAS No: 579-07-7 Catalog No: AG003B20 MDL No:MFCD00008755

Product Description

Catalog Number:
AG003B20
Chemical Name:
1-Phenylpropane-1,2-dione
CAS Number:
579-07-7
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00008755
IUPAC Name:
1-phenylpropane-1,2-dione
InChI:
InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
BVQVLAIMHVDZEL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C(=O)C
EC Number:
209-435-2
UNII:
ZB5XA3GD0I
NSC Number:
7643
FEMA Number:
3226

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
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Photo-crosslinkable cyanoacrylate bioadhesive: shrinkage kinetics, dynamic mechanical properties, and biocompatibility of adhesives containing TMPTMA and POSS nanostructures as crosslinking agents. Journal of biomedical materials research. Part A 20111101
Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones. Bioorganic & medicinal chemistry 20110801
Can phenyl-propanedione influence Knoop hardness, rate of polymerization and bond strength of resin composite restorations? Journal of dentistry 20110601
Light-curing of dental resins with GaN violet laser diode: the effect of photoinitiator on mechanical strength. Lasers in medical science 20110501
Expressed sequence tag analysis of khat (Catha edulis) provides a putative molecular biochemical basis for the biosynthesis of phenylpropylamino alkaloids. Genetics and molecular biology 20110101
In vitro photosensitization initiated by camphorquinone and phenyl propanedione in dental polymeric materials. Journal of photochemistry and photobiology. B, Biology 20100902
A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells. Cutaneous and ocular toxicology 20100901
Characterization of two aldo-keto reductases from Gluconobacter oxydans 621H capable of regio- and stereoselective alpha-ketocarbonyl reduction. Applied microbiology and biotechnology 20100701
Composition and stereochemistry of ephedrine alkaloids accumulation in Ephedra sinica Stapf. Phytochemistry 20100601
Chiral Pt/ZrO2 catalysts. Enantioselective hydrogenation of 1-phenyl-1,2-propanedione. Molecules (Basel, Switzerland) 20100512
Effect of different photo-initiators and light curing units on degree of conversion of composites. Brazilian oral research 20100101
Effect of various visible light photoinitiators on the polymerization and color of light-activated resins. Dental materials journal 20090701
Alternative photoinitiator system reduces the rate of stress development without compromising the final properties of the dental composite. Dental materials : official publication of the Academy of Dental Materials 20090501
Experimental and theoretical analysis of asymmetric induction in heterogeneous catalysis: diastereoselective hydrogenation of chiral alpha-hydroxyketones over Pt catalyst. Journal of the American Chemical Society 20090401
Characterization of a rat NADPH-dependent aldo-keto reductase (AKR1B13) induced by oxidative stress. Chemico-biological interactions 20090316
Effect of co-initiator ratio on the polymer properties of experimental resin composites formulated with camphorquinone and phenyl-propanedione. Dental materials : official publication of the Academy of Dental Materials 20090301
A combined NMR, DFT, and X-ray investigation of some cinchona alkaloid O-ethers. The Journal of organic chemistry 20080905
Influence of photoinitiator type on the rate of polymerization, degree of conversion, hardness and yellowing of dental resin composites. Dental materials : official publication of the Academy of Dental Materials 20080901
Direct determination of ephedrine intermediate in a biotransformation reaction using infrared spectroscopy and PLS. Talanta 20080530
Photopolymerization of N,N-dimethylaminobenzyl alcohol as amine co-initiator for light-cured dental resins. Dental materials : official publication of the Academy of Dental Materials 20080501
Developmental patterns of phenylpropylamino alkaloids accumulation in khat (Catha edulis, Forsk.). Journal of ethnopharmacology 20071203
Photoinitiation chemistry affects light transmission and degree of conversion of curing experimental dental resin composites. Dental materials : official publication of the Academy of Dental Materials 20070701
The initiating radical yields and the efficiency of polymerization for various dental photoinitiators excited by different light curing units. Dental materials : official publication of the Academy of Dental Materials 20060601
Hep27, a member of the short-chain dehydrogenase/reductase family, is an NADPH-dependent dicarbonyl reductase expressed in vascular endothelial tissue. Cellular and molecular life sciences : CMLS 20060501
Effect of ultrasound in enantioselective hydrogenation of 1-phenyl-1,2-propanedione: comparison of catalyst activation, solvents and supports. Ultrasonics sonochemistry 20060101
Conformational flexibility, UV-induced decarbonylation, and FTIR spectra of 1-phenyl-1,2 propanedione in solid xenon and in the low temperature amorphous phase. The journal of physical chemistry. A 20050630
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. Journal of medicinal chemistry 20050421
Molecular probe for a fluorous medium: long-lived phosphorescence of alpha-diketones in perfluoromethylcyclohexane at room temperature. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20050301
Influence of light-curing procedures and photo-initiator/co-initiator composition on the degree of conversion of light-curing resins. Journal of materials science. Materials in medicine 20050101
Utilisation of on-line acoustic irradiation as a means to counter-effect catalyst deactivation in heterogeneous catalysis. Ultrasonics sonochemistry 20040501
Novel laser-induced luminescence resulting from benzophenone/O-propylated p-tert-butylcalix[4]arene complexes. A diffuse reflectance study. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20031001
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Intercalation of multiple carbon atoms between the carbonyls of alpha-diketones. The Journal of organic chemistry 20011005
SPME/GC-MS characterization of volatiles associated with methamphetamine: toward the development of a pseudomethamphetamine training material. Journal of forensic sciences 20010901

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