4-Cyclopentene-1,3-dione - CAS 930-60-9

Catalog:	BB040759
Product Name:	4-Cyclopentene-1,3-dione
CAS:	930-60-9
Synonyms:	cyclopent-4-ene-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	cyclopent-4-ene-1,3-dione
Description:	4-Cyclopentene-1,3-dione (CAS# 930-60-9 ) is a useful research chemical.
Molecular Weight:	96.08
Molecular Formula:	C5H4O2
Canonical SMILES:	C1C(=O)C=CC1=O
InChI:	InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InChI Key:	MCFZBCCYOPSZLG-UHFFFAOYSA-N
Boiling Point:	60 °C1 mmHg (lit.)
Melting Point:	34-36 °C(lit.)
Purity:	95 %
Density:	1.28 g/cm³
Storage:	2-8 °C
LogP:	0.08450

Publication Number	Title	Priority Date
WO-2015153607-A1	Thermally regulated system	20140331
WO-2015153617-A1	Condensed tannin-based foams	20140331
WO-2015138804-A1	Novel covalently cross-linked malleable polymers and methods of use	20140312
US-9187399-B2	Production of maleic or fumaric acid from levulinic acid	20140108
WO-2015051903-A1	A novel process for the preparation of chiral cyclopentanone intermediates	20131008

PMID	Publication Date	Title	Journal
21738918	20110828	Simple synthesis of 1,3-cyclopentanedione derived probes for labeling sulfenic acid proteins	Chemical communications (Cambridge, England)
19735120	20091126	Cavity ringdown spectrum of the T(1)(n,pi*) <-- S(0) transition of 4-cyclopentene-1,3-dione	The journal of physical chemistry. A
16213547	20060301	Experimental study on the thermal oxidation of 2-chlorophenol in air over the temperature range 450-900 degrees C	Chemosphere
16279768	20051117	SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors	Journal of medicinal chemistry
15023348	20040311	Design of hypoxia-targeting protein tyrosine kinase inhibitor using an innovative pharmacophore 2-methylene-4-cyclopentene-1,3-dione	Biochimica et biophysica acta

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.021129366
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	96.021129366
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0