AG00CMDH

417721-34-7 | 7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylic acid

AG00CMDH

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CAS Number	417721-34-7
Catalog Number	AG00CMDH
Chemical Name	7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylic acid
IUPAC Name	7-methoxy-4-oxo-1H-quinoline-6-carboxylic acid
InChI	InChI=1S/C11H9NO4/c1-16-10-5-8-6(4-7(10)11(14)15)9(13)2-3-12-8/h2-5H,1H3,(H,12,13)(H,14,15)
InChI Key	MSZYWVOSDXCACV-UHFFFAOYSA-N
MDL Number	MFCD26935663
Molecular Formula	C11H9NO4
Molecular Weight	219.1935
SMILES	COC1=C(C=C2C(C=CNC2=C1)=O)C(=O)O
Synonyms	7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylic acid, 417721-34-7, 6-Quinolinecarboxylic acid, 1,4-dihydro-7-methoxy-4-oxo-, SCHEMBL1132794, MSZYWVOSDXCACV-UHFFFAOYSA-N, MFCD26935663, AKOS027461063, AKOS030632695, ZINC115306847, AS-47712, 1,4-Dihydro-7-methoxy-4-oxo-6-quinolinecarboxylic acid,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.196g/mol
Monoisotopic Mass	219.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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