AG004OOE

850858-56-9 | Methyl isoquinoline-8-carboxylate

AG004OOE

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CAS Number	850858-56-9
Catalog Number	AG004OOE(AGN-PC-09RRZ2)
Chemical Name	Methyl isoquinoline-8-carboxylate
IUPAC Name	methyl isoquinoline-8-carboxylate
InChI	InChI=1S/C11H9NO2/c1-14-11(13)9-4-2-3-8-5-6-12-7-10(8)9/h2-7H,1H3
InChI Key	QHXHWOJLSCPSKV-UHFFFAOYSA-N
MDL Number	MFCD11506141
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	COC(=O)C1=CC=CC2=C1C=NC=C2
Synonyms	METHYL ISOQUINOLINE-8-CARBOXYLATE, 850858-56-9, Methyl 8-Isoquinolinecarboxylate, CTK8C3295, DTXSID50696371, KS-000019PL, 3145AC, ANW-69919, MFCD11506141, ZINC82767278, AKOS006323350, CS-11493, SY022478, AJ-125583, DB-076244, TC-158664, CS-0018556, FT-0752792, ST24025487, MFCD11506141 (97%), Z-5555, C11H9NO2,

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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