AG00C0D7

34014-51-2 | 1-Oxo-1,2-dihydro-4-isoquinolinecarboxylic acid

AG00C0D7

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CAS Number	34014-51-2
Catalog Number	AG00C0D7(AGN-PC-0JU8FH)
Chemical Name	1-Oxo-1,2-dihydro-4-isoquinolinecarboxylic acid
IUPAC Name	1-oxo-2H-isoquinoline-4-carboxylic acid
InChI	InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChI Key	IMEDZEDITFIMAK-UHFFFAOYSA-N
MDL Number	MFCD00140316
Molecular Formula	C10H7NO3
Molecular Weight	189.1675
SMILES	O=C(C(C1=C2C=CC=C1)=CNC2=O)O
Synonyms	34014-51-2, 1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, 1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid, 1-oxo-2H-isoquinoline-4-carboxylic acid, 1-Hydroxyisoquinoline-4-carboxylic acid, 1-oxo-1,2-dihydro-4-isoquinolinecarboxylicacid, 4-isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-, 1,2-dihydro-1-oxo-4-isoquinolinecarboxylic acid, Bionet2_000184, AC1LD6ME, MLS000756060, AC1Q740D, SCHEMBL2676355, CHEMBL1483323, CTK1C5438, DTXSID20349120, IMEDZEDITFIMAK-UHFFFAOYSA-N, oxodihydroisoquinolinecarboxylicacid, HMS1364I08, HMS2618E04, KS-00001QD4, ZINC2508458, ANW-56066, BBL028267, CO-108, MFCD00140316, SBB069644, STL374031, STL521410, AKOS005069162, AKOS024064577, MCULE-1056588826, QC-5113, RP11193, VQ10058, 1-Hydroxy-4-isoquinolinecarboxylic acid, AJ-36287, SMR000337737, AB0094454, DB-011875, 1-oxo-2-hydroisoquinoline-4-carboxylic acid, 4CH-021315, A6013, FT-0639148, W-6537, 014O512, 10B-046, 4-Isoquinolinecarboxylicacid, 1,2-dihydro-1-oxo-, J-505040, S14-1639, Z1815155463, 1-OXO-1,2-DIHYDRO-ISOQUINOLINE-4-CARBOXYLIC ACID, 1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, AldrichCPR, InChI=1/C10H7NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-5H,(H,11,12)(H,13,14, CID643161, 1-Oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, 95% - 1G 1g,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.043g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.17g/mol
Monoisotopic Mass	189.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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