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637-88-7 | 1,4-Cyclohexanedione
CAS No: 637-88-7 Catalog No: AG0032MG MDL No:MFCD00001606
Product Description
Catalog Number:
AG0032MG
Chemical Name:
1,4-Cyclohexanedione
CAS Number:
637-88-7
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD00001606
IUPAC Name:
cyclohexane-1,4-dione
InChI:
InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChI Key:
DCZFGQYXRKMVFG-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)CC1
EC Number:
211-306-0
NSC Number:
7192
Properties
Complexity:
98.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
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| Intramolecular valence and spin interaction in meso and rac diastereomers of a p-quinonoid-bridged diruthenium complex. | Journal of the American Chemical Society 20081224 |
| 1,2,5,10,11,14-hexaoxadispiro[5.2.5.2]hexadecanes: novel spirofused bis-trioxane peroxides. | Molecules (Basel, Switzerland) 20080819 |
| Tailor-made force fields for crystal-structure prediction. | The journal of physical chemistry. B 20080814 |
| Breakup of propagating waves through the development of a transient unexcitable regime. | Physical review. E, Statistical, nonlinear, and soft matter physics 20080701 |
| Synthesis of bicyclo[3.1.0]hexane derivatives as conformationally restricted analogues of beta-arabinofuranosyl and alpha-galactofuranosyl rings. | Organic letters 20080306 |
| Oligospiroketals as novel molecular rods. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Prooxidant action of rhodizonic acid: transition metal-dependent generation of reactive oxygen species causing the formation of 8-hydroxy-2'-deoxyguanosine formation in DNA. | Toxicology in vitro : an international journal published in association with BIBRA 20060901 |
| Propagation failures, breathing pulses, and backfiring in an excitable reaction-diffusion system. | Chaos (Woodbury, N.Y.) 20060901 |
| Gas-phase structures, rotational barriers, and conformational properties of hydroxyl and mercapto derivatives of cyclohexa-2,5-dienone and cyclohexa-2,5-dienthione. | The journal of physical chemistry. A 20060720 |
| Collective reaction behavior of an oscillating system coupled with an excitable reaction. | The Journal of chemical physics 20060621 |
| Syntheses of tetrahydrofurobenzofurans and dihydromethanobenzodioxepines from 5-hydroxy-3-methyl-3H-benzofuran-2-one. Rearrangement and ring expansion under reductive conditions on treatment with hydrides. | The Journal of organic chemistry 20050805 |
| Complex behavior in coupled bromate oscillators. | The journal of physical chemistry. A 20050505 |
| Stirring-controlled bifurcations in the 1,4-cyclohexanedione-bromate reaction. | The journal of physical chemistry. A 20050428 |
| Novel A-ring analogs of the hormone 1alpha,25-dihydroxyvitamin D3: synthesis and preliminary biological evaluation. | Bioorganic & medicinal chemistry 20050415 |
| High sensitivity 1H-NMR spectroscopy of homeopathic remedies made in water. | BMC complementary and alternative medicine 20040101 |
| [Condensation of dihydro-1,4-benzoquinone derivatives with 1,2-arylenediamines]. | Die Pharmazie 20010201 |
| Effect of gravity field on the nonequilibrium/nonlinear chemical oscillation reactions. | Advances in space research : the official journal of the Committee on Space Research (COSPAR) 20010101 |
| 2-Aminobenzoyl-CoA monooxygenase/reductase, a novel type of flavoenzyme. Identification of the reaction products. | European journal of biochemistry 19900731 |
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