AG00DFRK

56137-52-1 | 1-PHENYL-2-OXO-3-PYRROLIDINECARBOXYLIC

AG00DFRK

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CAS Number	56137-52-1
Catalog Number	AG00DFRK(AGN-PC-0KOBVX)
Chemical Name	1-PHENYL-2-OXO-3-PYRROLIDINECARBOXYLIC
IUPAC Name	2-oxo-1-phenylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChI Key	KIXWRXJXMVUWCP-UHFFFAOYSA-N
MDL Number	MFCD01688147
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C(C1C(N(C2=CC=CC=C2)CC1)=O)O
Synonyms	56137-52-1, 2-oxo-1-phenylpyrrolidine-3-carboxylic acid, 1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid, 2-Oxo-1-phenyl-3-pyrrolidinecarboxylic acid, 3-Pyrrolidinecarboxylic acid, 2-oxo-1-phenyl-, BRN 0189006, 3-Pyrrolidinecarboxylicacid, 2-oxo-1-phenyl-, AC1MIFXF, AC1Q74KT, 5-22-06-00034 (Beilstein Handbook Reference), SCHEMBL308869, CTK1H2817, KIXWRXJXMVUWCP-UHFFFAOYSA-N, 5098AH, MFCD01688147, AKOS000169771, AKOS017344800, LS-137477, FT-0657877, K-9965, A830933, 1-Phenyl-2-oxo-3-pyrrolidinecarboxylic acid, 95%, S14-1120, 2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylic acid, C11H11NO3, C11-H11-N-O3, CID3043762, 1-PHENYL-2-OXO-3-PYRROLIDINECARBOXYLIC,

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	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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