AG00EIAU

618070-31-8 | 2-Oxo-1-m-tolyl pyrrolidine-3-carboxylic Acid

AG00EIAU

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CAS Number	618070-31-8
Catalog Number	AG00EIAU(AGN-PC-0LDJPW)
Chemical Name	2-Oxo-1-m-tolyl pyrrolidine-3-carboxylic Acid
IUPAC Name	1-(3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C12H13NO3/c1-8-3-2-4-9(7-8)13-6-5-10(11(13)14)12(15)16/h2-4,7,10H,5-6H2,1H3,(H,15,16)
InChI Key	CDYNQYZODLGTJT-UHFFFAOYSA-N
MDL Number	MFCD03932874
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
SMILES	O=C(C1C(N(C2=CC=CC(C)=C2)CC1)=O)O
Synonyms	618070-31-8, 1-(3-Methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid, 1-(3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid, 2-oxo-1-m-tolylpyrrolidine-3-carboxylic acid, 2-Oxo-1-m-tolyl pyrrolidine-3-carboxylic acid, 2-Oxo-1-(m-tolyl)pyrrolidine-3-carboxylic acid, AC1NDI6T, SCHEMBL892875, CTK8E3019, DTXSID20404440, CDYNQYZODLGTJT-UHFFFAOYSA-N, 4535AH, MFCD03932874, AKOS000163658, AKOS022203201, 1-(3-Methylphenyl)-2-oxo-3-pyrrolidinec, RT-006024, A-7532, I04-8587, 1-(3-Methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid, 97%, C12H13NO3, 1- -2-OXO-3-PYRROLIDINEC&, CID4576309, 1-(3-methylphenyl)-2-oxo-pyrrolidine-3-carboxylic Acid,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.24g/mol
Monoisotopic Mass	219.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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