AG00E9SY

56617-43-7 | 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid

AG00E9SY

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CAS Number	56617-43-7
Catalog Number	AG00E9SY(AGN-PC-0JVSIE)
Chemical Name	1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name	1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)
InChI Key	JYYMPQMWOVXMDK-UHFFFAOYSA-N
MDL Number	MFCD01569311
Molecular Formula	C11H10FNO3
Molecular Weight	223.2004
SMILES	O=C(C(C1)CN(C2=CC=C(F)C=C2)C1=O)O
Synonyms	1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid, 56617-43-7, 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid, 3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo-, MLS000062743, AC1MF28V, AC1Q74OQ, Oprea1_485102, Oprea1_585069, SCHEMBL2221436, CHEMBL1345646, CTK1H1665, JYYMPQMWOVXMDK-UHFFFAOYSA-N, HMS2369J14, ALBB-000142, KS-00001M2D, BBL008521, HTS009163, KM0012, MFCD01569311, SBB011502, STK056336, AKOS000144584, AKOS016040991, AS-5683, MCULE-9870180009, BAS 03107236, SMR000071280, AB0003715, LS-137454, TR-019850, BB 0217888, EU-0044053, FT-0676748, ST45130399, V6654, EN300-71523, 4-carboxy-1-(4-fluorophenyl)-2-pyrrolidinone, 4-Carboxy-1-(4-fluorophenyl)pyrrolidin-2-one, SR-01000485853, I04-5357, SR-01000485853-1, 1-(4-Fluorophenyl)pyrrolidin-5-one-3-carboxylic acid, Z57700000, 1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylicacid, 1-(4-fluorophenyl)-5-oxo-, F0919-1630, 1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid, AldrichCPR, C11H10FNO3, C11-H10-F-N-O3, CID2912652,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.064g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.203g/mol
Monoisotopic Mass	223.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	UN 2811

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