AG001YLO

173089-82-2 | 6-Isoquinolinecarboxylic acid, methyl ester

AG001YLO

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CAS Number	173089-82-2
Catalog Number	AG001YLO(AGN-PC-00ORLP)
Chemical Name	6-Isoquinolinecarboxylic acid, methyl ester
IUPAC Name	methyl isoquinoline-6-carboxylate
InChI	InChI=1S/C11H9NO2/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9/h2-7H,1H3
InChI Key	UVPWZEOLHRROQK-UHFFFAOYSA-N
MDL Number	MFCD11226961
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	O=C(C1=CC2=C(C=NC=C2)C=C1)OC
Synonyms	methyl isoquinoline-6-carboxylate, 173089-82-2, METHYL 6-ISOQUINOLINECARBOXYLATE, ISOQUINOLINE-6-CARBOXYLIC ACID METHYL ESTER, 6-Isoquinolinecarboxylic acid, methyl ester, Methyl6-Isoquinolinecarboxylate, SCHEMBL1519827, UVPWZEOLHRROQK-UHFFFAOYSA-N, KS-00000BQ5, 4333AJ, MFCD11226961, ZINC34525812, AKOS006322880, GS-5992, MB09804, MCULE-6042552418, WT82350, AJ-89102, AM803339, DA-17433, SY022491, TC-308591, CS-0021457, FT-0740501, MFCD11226961 (97%), Z-5446, C11H9NO2, ACN-045218, 505-48-6,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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