AG003693

221050-96-0 | Isoquinoline-7-carboxylic acid

AG003693

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CAS Number	221050-96-0
Catalog Number	AG003693(AGN-PC-01WGM9)
Chemical Name	Isoquinoline-7-carboxylic acid
IUPAC Name	isoquinoline-7-carboxylic acid
InChI	InChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13)
InChI Key	QUFUUBBLCOBJPH-UHFFFAOYSA-N
MDL Number	MFCD10699235
Molecular Formula	C10H7NO2
Molecular Weight	173.1681
SMILES	C1=NC=CC2=CC=C(C=C12)C(=O)O
Synonyms	Isoquinoline-7-carboxylic acid, 221050-96-0, 7-Isoquinolinecarboxylic acid, 7-Isoquinolinecarboxylicacid, CHEMBL3950623, 7-Carboxyisoquinoline, SCHEMBL1403704, KS-00002ADZ, DTXSID90594145, QUFUUBBLCOBJPH-UHFFFAOYSA-N, ANW-57128, BDBM50195797, CI-297, MFCD10699235, ZINC20418309, AKOS006283023, MB08772, MCULE-7146821269, PS-5259, RP02794, RTR-039371, AJ-77468, AK-72514, AN-29597, BC679509, SC-33697, AB0038005, DB-080677, TR-039371, CS-0039143, FT-0711062, ST24030812, Y5348, C-2180, 050I960, W-206732, F2191-0016, Z1954806145, C10H7NO2, 1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID HYDROCHLORIDE,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.171g/mol
Monoisotopic Mass	173.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number