AG00009M

1000045-93-1 | 7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester

AG00009M

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CAS Number	1000045-93-1
Catalog Number	AG00009M(AGN-PC-0WAMHG)
Chemical Name	7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
IUPAC Name	methyl 2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
InChI	InChI=1S/C11H11NO3/c1-15-11(14)8-3-2-7-4-5-10(13)12-9(7)6-8/h2-3,6H,4-5H2,1H3,(H,12,13)
InChI Key	BUGJUSPLIAWGKT-UHFFFAOYSA-N
MDL Number	MFCD24387120
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	COC(C1=CC2=C(CCC(N2)=O)C=C1)=O
Synonyms	methyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate, 1000045-93-1, AK207943, methyl 2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate, SCHEMBL2497788, KS-00000THJ, BUGJUSPLIAWGKT-UHFFFAOYSA-N, ZINC96379122, AKOS027256031, DS-10147, TZ000887, AX8271095, CS-0037701, W-1009, 2-Oxo-1,2,3,4-tertrahydroquinoline-7-carboxylic acid methyl ester, 7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.073893g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.21g/mol
Monoisotopic Mass	205.073893g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.4Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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