AG002A2U

205448-65-3 | 6-Quinolinecarboxylic acid, 1,4-dihydro-7-methoxy-4-oxo-, methyl ester

AG002A2U

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CAS Number	205448-65-3
Catalog Number	AG002A2U(AGN-PC-03T181)
Chemical Name	6-Quinolinecarboxylic acid, 1,4-dihydro-7-methoxy-4-oxo-, methyl ester
IUPAC Name	methyl 7-methoxy-4-oxo-1H-quinoline-6-carboxylate
InChI	InChI=1S/C12H11NO4/c1-16-11-6-9-7(10(14)3-4-13-9)5-8(11)12(15)17-2/h3-6H,1-2H3,(H,13,14)
InChI Key	TYKSVPGCVLNVIO-UHFFFAOYSA-N
MDL Number	MFCD13192255
Molecular Formula	C12H11NO4
Molecular Weight	233.2200
SMILES	O=c1c2c(cc(c(c2)C(=O)OC)OC)[nH]cc1
Synonyms	Methyl 7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate, 205448-65-3, methyl 4-hydroxy-7-methoxyquinoline-6-carboxylate, 1,4-Dihydro-7-methoxy-4-oxo-6-quinolinecarboxylic acid methyl ester, SCHEMBL6436542, TYKSVPGCVLNVIO-UHFFFAOYSA-N, BCP14204, MFCD13192255, ZINC78107339, AKOS025396444, DS-8705, KS-00000T47, AC-29697, AK174348, SY028903, CS-0041771, MFCD13192255 (95%), 7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one, 7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylic acid methyl ester, 7-Methoxy-4-oxo-1,4-dihydro-quinoline-6-carboxylic acid methyl ester, ACN-056642, N/A,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.069g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.223g/mol
Monoisotopic Mass	233.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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