AG003EHG

42346-68-9 | 1-methyl-5-oxopyrrolidine-3-carboxylic acid

AG003EHG

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CAS Number	42346-68-9
Catalog Number	AG003EHG(AGN-PC-0JLO35)
Chemical Name	1-methyl-5-oxopyrrolidine-3-carboxylic acid
EC Number	255-765-5
IUPAC Name	1-methyl-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C6H9NO3/c1-7-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,9,10)
InChI Key	YHDZDIPQCVCIJS-UHFFFAOYSA-N
MDL Number	MFCD00014102
Molecular Formula	C6H9NO3
Molecular Weight	143.1406
SMILES	CN1CC(CC1=O)C(O)=O
Synonyms	1-Methyl-5-oxopyrrolidine-3-carboxylic acid, 42346-68-9, 1-Methyl-2-oxopyrrolidine-4-carboxylic Acid, 1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid, 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, 1-Methyl-4-carboxy-2-pyrrolidone, EINECS 255-765-5, BRN 0132515, YHDZDIPQCVCIJS-UHFFFAOYSA-N, 457-53-4, BAS 03107228, EC-000.1926, ZERO/006063, AC1Q3ZLE, AC1L3V7R, AC1Q6FI2, 4-22-00-02888 (Beilstein Handbook Reference), 4-carboxy-1-methylpyrrolidone, SCHEMBL119901, CTK1D7626, HMS1678N10, ALBB-000155, KS-00000AI8, BBL009745, MFCD00014102, SBB013855, STK343943, AKOS000143972, AKOS016040986, AS-5547, MCULE-2604682023, SB11648, TRA0073024, AC-23499, N-methyl-2-pyrrolidone-4-carboxylic acid, ST095675, SY013234, 1-Methyl-2-oxopyrrolidine-4-carboxylicAcid, AB0002312, AB1008857, DB-050896, LS-137468, TC-269855, 3-Pyrrolidinecarboxylicacid,1-methyl-5-oxo-, BB 0217899, FT-0639786, ST24038122, V5890, 3-Pyrrolidinecarboxylicacid, 1-methyl-5-oxo-, EN300-33601, 1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid #, K-8799, MFCD00014102 (95+%), 1-METHYL-5-OXO-PYRROLIDINE-3-CARBOXYLICACID, I04-4933, Z57472350, F2101-0140, null, C6H9NO3, C10H10F3NO2, C6-H9-N-O3, 2,2,2-Trifluoro-p-acetophenetidide, AR-1C4648, C10-H10-F3-N-O2, CID122766, BRN 2976383, p-ACETOPHENETIDIDE, 2,2,2-TRIFLUORO-, 4-13-00-01093 (Beilstein Handbook Reference), Acetamide, N-(4-ethoxyphenyl)-2,2,2-trifluoro-,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.142g/mol
Monoisotopic Mass	143.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1

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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