AG00E9T3

56617-47-1 | 1-(4-Methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid

AG00E9T3

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CAS Number	56617-47-1
Catalog Number	AG00E9T3(AGN-PC-0JVCY2)
Chemical Name	1-(4-Methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name	1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI Key	JIKAEHOGWAHVIJ-UHFFFAOYSA-N
MDL Number	MFCD00227562
Molecular Formula	C12H13NO4
Molecular Weight	235.2359
SMILES	O=C(C(C1)CN(C2=CC=C(OC)C=C2)C1=O)O
Synonyms	56617-47-1, 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid, 1-(4-Methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, BRN 0226896, 1-(4-Methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid, MLS000123475, 3-Pyrrolidinecarboxylic acid, 1-(4-methoxyphenyl)-5-oxo-, 4-22-00-02895 (Beilstein Handbook Reference), SMR000124066, 1-(4-methoxyphenyl)pyrrolid-2-one-4-carboxylic acid, AC1Q4BXD, Maybridge3_006831, AC1MC69O, Cambridge id 6714599, Oprea1_850628, SCHEMBL6270203, 1-(4-Methoxyphenyl)pyrrolidin-2-one-4-carboxylic acid, CHEMBL1606764, BDBM48454, cid_2736758, CTK5A5441, HMS1450G11, HMS2495G03, ALBB-000263, KS-00001M2K, 5753AE, BBL008651, HTS000343, KM0014, MFCD00227562, SBB010114, STK033196, AKOS000109262, AKOS016036769, MCULE-4229372221, MS-1258, IDI1_018218, NCGC00245399-01, BAS 06300659, AB0059531, DB-017369, LS-137467, ST4140125, TR-037112, BB 0217878, EU-0099938, FT-0677136, EN300-30779, AB00117144-01, I04-5074, Z57474353, 1-(4-Methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, F1799-0553, 1-(4-Methoxy-phenyl)-5-oxo-pyrrolidine-3-car boxylic acid, 1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid, 1-(4-Methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid, AldrichCPR, 4-allyl-2-{4-[(3-fluorophenyl)acetyl]piperazin-1-yl}pyrido[2,3-b]pyrazin-3(4H)-one, C12H13NO4, C12-H13-N-O4, CID2736758,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.084g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.239g/mol
Monoisotopic Mass	235.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

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