AG0028P8

20317-40-2 | 4-Isoquinolinecarboxylic acid, methyl ester

AG0028P8

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CAS Number	20317-40-2
Catalog Number	AG0028P8(AGN-PC-00H17I)
Chemical Name	4-Isoquinolinecarboxylic acid, methyl ester
IUPAC Name	methyl isoquinoline-4-carboxylate
InChI	InChI=1S/C11H9NO2/c1-14-11(13)10-7-12-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChI Key	GOMAQBGRXCIEBF-UHFFFAOYSA-N
MDL Number	MFCD11111833
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	O=C(C1=CN=CC2=C1C=CC=C2)OC
Synonyms	Methyl Isoquinoline-4-carboxylate, 20317-40-2, Methyl 4-isoquinolinecarboxylate, 4-Isoquinolinecarboxylic acid, methyl ester, 4-Isoquinolinecarboxylicacid, methyl ester, 4-Isoquinolinecarboxylicacid methylester, PubChem17036, SCHEMBL2201324, Methyl isoquinolin-4-carboxylate, CTK4E3889, KS-00000HXF, DTXSID70474052, GOMAQBGRXCIEBF-UHFFFAOYSA-N, ANW-75139, MFCD11111833, ZINC36466748, AKOS006308739, FS-3446, RP24721, AJ-92977, BR-24962, CJ-18924, AB0023263, Isoquinoline-4-carboxylic acid methyl ester, ST2413501, TC-163884, 4CH-008764, FT-0743419, W4284, S-5519, J-522364, I14-11599, Z1647328703, Methyl4-isoquinolinecarboxylate, C11H9NO2, Methylisoquinoline-4-carboxylate, CID11830161, A4422,

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

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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