AG0031PM

30948-17-5 | 3-Pyrrolidinecarboxylic acid, 5-oxo-, (S)- (8CI,9CI)

AG0031PM

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CAS Number	30948-17-5
Catalog Number	AG0031PM(AGN-PC-0WCXBX)
Chemical Name	3-Pyrrolidinecarboxylic acid, 5-oxo-, (S)- (8CI,9CI)
IUPAC Name	(3S)-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C5H7NO3/c7-4-1-3(2-6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChI Key	GZVHQYZRBCSHAI-VKHMYHEASA-N
MDL Number	MFCD05864580
Molecular Formula	C5H7NO3
Molecular Weight	129.1140
SMILES	O=C([C@@H](C1)CNC1=O)O
Synonyms	(3S)-5-oxopyrrolidine-3-carboxylic acid, 30948-17-5, (S)-5-oxopyrrolidine-3-carboxylic Acid, (S)-5-oxo-3-pyrrolidinecarboxylic acid, SCHEMBL14749839, GZVHQYZRBCSHAI-VKHMYHEASA-N, MFCD13194688, ZINC19088164, AKOS006356442, 5-Oxopyrrolidine-3beta-carboxylic acid, SB17669, AJ-70915, SC-51330, TS-01691, CS-0053257, FT-0774442, KS-00000664, 3-Pyrrolidinecarboxylic acid, 5-oxo-, (S)- (8CI,9CI), 5-oxopyrrolidine-3-carboxylic acid, 7268-43-1,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	129.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	129.115g/mol
Monoisotopic Mass	129.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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