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930-60-9 | 4-Cyclopentene-1,3-dione
CAS No: 930-60-9 Catalog No: AG003L9W MDL No:MFCD00001404
Product Description
Catalog Number:
AG003L9W
Chemical Name:
4-Cyclopentene-1,3-dione
CAS Number:
930-60-9
Molecular Formula:
C5H4O2
Molecular Weight:
96.0841
MDL Number:
MFCD00001404
IUPAC Name:
cyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InChI Key:
MCFZBCCYOPSZLG-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C1
EC Number:
213-219-3
UNII:
P054EQ880I
NSC Number:
155336
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.021g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.085g/mol
Monoisotopic Mass:
96.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Simple synthesis of 1,3-cyclopentanedione derived probes for labeling sulfenic acid proteins. | Chemical communications (Cambridge, England) 20110828 |
| Cavity ringdown spectrum of the T(1)(n,pi*) <-- S(0) transition of 4-cyclopentene-1,3-dione. | The journal of physical chemistry. A 20091126 |
| Experimental study on the thermal oxidation of 2-chlorophenol in air over the temperature range 450-900 degrees C. | Chemosphere 20060301 |
| SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. | Journal of medicinal chemistry 20051117 |
| Design of hypoxia-targeting protein tyrosine kinase inhibitor using an innovative pharmacophore 2-methylene-4-cyclopentene-1,3-dione. | Biochimica et biophysica acta 20040311 |
| Thermal decomposition of specifically phosphorylated D-glucoses and their role in the control of the Maillard reaction. | Journal of agricultural and food chemistry 20030521 |
| Prostaglandin J2 metabolites inhibit aromatase activity by redox-sensitive mechanisms: potential implications for breast cancer therapy. | International journal of cancer 20030220 |
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