AG003ABH

71830-06-3 | (S)-3-Oxocyclopentanecarboxylic acid

AG003ABH

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CAS Number	71830-06-3
Catalog Number	AG003ABH(AGN-PC-0OH19C)
Chemical Name	(S)-3-Oxocyclopentanecarboxylic acid
IUPAC Name	(1S)-3-oxocyclopentane-1-carboxylic acid
InChI	InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)/t4-/m0/s1
InChI Key	RDSNBKRWKBMPOP-BYPYZUCNSA-N
MDL Number	MFCD19228332
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	O=C1C[C@H](CC1)C(=O)O
Synonyms	71830-06-3, (S)-3-Oxocyclopentanecarboxylic acid, (1S)-3-oxocyclopentane-1-carboxylic acid, (S)-3-Oxo-cyclopentanecarboxylic acid, Cyclopentanecarboxylic acid, 3-oxo-, (1S)-, (1S)-3-Oxocyclopentanecarboxylic acid, AK100868, AC1LGZ1F, SCHEMBL3295484, DTXSID50357556, RDSNBKRWKBMPOP-BYPYZUCNSA-N, ZINC404130, FCH964722, MFCD19228332, (s)-3-oxocyclopentane carboxylic acid, AKOS006376644, DS-3640, PB15404, (1S)-3-Oxocyclopentane carboxylic acid, AJ-22248, AX8246386, FT-0699608, Q-4497, 3-oxocyclopentane-1-carboxylic acid, (R)-3-Oxocyclopentanecarboxylic acid, (1R)-3-oxocyclopentane-1-carboxylic acid, 13012-38-9, 98-78-2,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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