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3859-41-4 | 1,3-Cyclopentanedione
CAS No: 3859-41-4 Catalog No: AG0032LE MDL No:MFCD00001405
Product Description
Catalog Number:
AG0032LE
Chemical Name:
1,3-Cyclopentanedione
CAS Number:
3859-41-4
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
MDL Number:
MFCD00001405
IUPAC Name:
cyclopentane-1,3-dione
InChI:
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChI Key:
LOGSONSNCYTHPS-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C1
EC Number:
223-372-8
UNII:
98107S5K06
NSC Number:
364015
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 7-(3-Nitro-phen-yl)-9,10-dihydro-7H-benzo[h]cyclo-penta-[b]quinolin-8(11H)-one. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Cyclopentane-1,3-dione: a novel isostere for the carboxylic acid functional group. Application to the design of potent thromboxane (A2) receptor antagonists. | Journal of medicinal chemistry 20111013 |
| Simple synthesis of 1,3-cyclopentanedione derived probes for labeling sulfenic acid proteins. | Chemical communications (Cambridge, England) 20110828 |
| Supramolecular micellar nanoaggregates based on a novel chitosan/vitamin E succinate copolymer for paclitaxel selective delivery. | International journal of nanomedicine 20110101 |
| Acylphloroglucinol, biyouyanagiol, biyouyanagin B, and related spiro-lactones from Hypericum chinense. | Journal of natural products 20090801 |
| Direct amino acid-catalyzed cascade biomimetic reductive alkylations: application to the asymmetric synthesis of Hajos-Parrish ketone analogues. | Organic & biomolecular chemistry 20081121 |
| 2-(2,5-Dioxotetra-hydro-furan-3-yl)isoindoline-1,3-dione. | Acta crystallographica. Section E, Structure reports online 20080901 |
| Ruthenium/TFA-catalyzed coupling of activated secondary propargylic alcohols with cyclic 1,3-diones: furan versus pyran ring formation. | The Journal of organic chemistry 20080801 |
| Novel multicomponent reactions involving isoquinoline or phenanthridine and activated acetylenic ester in the presence of heterocyclic NH or 1,3-dicarbonyl compounds. | Molecular diversity 20080501 |
| Efficient total synthesis of novel bioactive microbial metabolites. | Accounts of chemical research 20080201 |
| General strategy for the synthesis of B1 phytoprostanes, dinor isoprostanes, and analogs. | The Journal of organic chemistry 20070302 |
| Reactions of 1,2-bis(trimethylsilyloxy)cycloalkenes with the diethyl acetals of aldehydes. | The Journal of organic chemistry 20060106 |
| SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. | Journal of medicinal chemistry 20051117 |
| Gas-phase acidities of disubstituted methanes and of enols of carboxamides substituted by electron-withdrawing groups. | The Journal of organic chemistry 20040903 |
| A photochemical approach to pyridopyrroloquinoline derivatives as new potential anticancer agents. | Chemical & pharmaceutical bulletin 20040601 |
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