AG00BYLK

39629-86-2 | 5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid

AG00BYLK

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CAS Number	39629-86-2
Catalog Number	AG00BYLK(AGN-PC-0JVBEJ)
Chemical Name	5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid
IUPAC Name	5-oxo-1-phenylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C11H11NO3/c13-10-6-8(11(14)15)7-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChI Key	GHTSPNBSVDWGED-UHFFFAOYSA-N
MDL Number	MFCD00207656
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	OC(=O)C1CN(C(=O)C1)C1=CC=CC=C1
Synonyms	5-oxo-1-phenylpyrrolidine-3-carboxylic acid, 39629-86-2, 5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid, 2-Oxo-1-phenylpyrrolidine-4-carboxylic acid, 1-Phenyl-5-oxopyrrolidine-3-carboxylic acid, 5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid, BAS 03041490, AC1MC6SF, Maybridge1_007504, ChemDiv2_003327, AC1Q74OT, Oprea1_347512, Oprea1_590418, SCHEMBL892508, CTK1B3803, HMS562N02, DTXSID20371840, phenyl-4-carboxy-2-pyrrolidinone, GHTSPNBSVDWGED-UHFFFAOYSA-N, HMS1378H05, ALBB-004698, 5203AB, ANW-54885, BBL008519, HTS009157, MFCD00207656, SBB010116, STK063336, AKOS000109286, AKOS016036774, AS-5484, CCG-202940, MCULE-4419290123, KS-00001M25, 5-oxo-1-phenypyrrolidine-3-carboxylic acid, AB0001833, TR-015829, BB 0217880, EU-0099967, FT-0677229, ST45130426, EN300-35664, 3-Pyrrolidinecarboxylic acid, 5-oxo-1-phenyl-, K-8507, AT-057/40711944, SR-01000415051, SR-01000415051-1, 2-OXO-1-PHENYL PYRROLIDINE-4-CARBOXYLIC ACID, Z57472940, F1216-0229, N-[3-(3-methylpiperidin-1-yl)propyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide, C11H11NO3, CID2737107, 5-Oxo-1-phenylpyrrolidine-3-carboxylicacid, 5-OXO-1-PHENYL-PYRROLIDINE-3-CARBOXYLICACID,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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