AG00383D

3008-40-0 | 1,2-Cyclopentanedione

AG00383D

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CAS Number	3008-40-0
Catalog Number	AG00383D(AGN-PC-0WAJNO)
Chemical Name	1,2-Cyclopentanedione
IUPAC Name	cyclopentane-1,2-dione
InChI	InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-3H2
InChI Key	CIISBNCSMVCNIP-UHFFFAOYSA-N
MDL Number	MFCD00956665
Molecular Formula	C5H6O2
Molecular Weight	98.0999
SMILES	C1(C(CCC1)=O)=O
Synonyms	1,2-Cyclopentanedione, cyclopentane-1,2-dione, 3008-40-0, CIISBNCSMVCNIP-UHFFFAOYSA-N, cyclopentanedione, 1,2-cyclopentadione, AC1LBYUS, cyclopentane-1,2-quinone, CTK1C5999, MFCD00045446, AKOS017344721, ZINC100626281, SY057516, MFCD00045446 (95%), F8885-0660, 1,2-Cyclooctanedione, UNII-ERV66I5QUJ, C5-H6-O2, CID566657,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

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