AG00817T

118313-35-2 | 5-Methoxyisoquinolin-1(2H)-One

AG00817T

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CAS Number	118313-35-2
Catalog Number	AG00817T(AGN-PC-0JY6E1)
Chemical Name	5-Methoxyisoquinolin-1(2H)-One
IUPAC Name	5-methoxy-2H-isoquinolin-1-one
InChI	InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-6H,1H3,(H,11,12)
InChI Key	JTIMZAUBSBUCNK-UHFFFAOYSA-N
MDL Number	MFCD00713157
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C1NC=CC2=C1C=CC=C2OC
Synonyms	118313-35-2, 5-methoxyisoquinolin-1(2H)-one, 5-methoxy-2H-isoquinolin-1-one, 1(2H)-Isoquinolinone, 5-methoxy-, 5-METHOXY-1,2-DIHYDROISOQUINOLIN-1-ONE, F2621-0727, ACMC-20mnqt, AC1LICK7, Oprea1_045149, SCHEMBL1536501, SCHEMBL13729970, CTK0F9915, 5-Methoxy-1(2H)-isoquinolinone, DTXSID20358979, JTIMZAUBSBUCNK-UHFFFAOYSA-N, ZINC519153, 3258AJ, MFCD00713157, AKOS005208558, AB06974, MCULE-5009949529, AJ-23290, AS-38982, EN000520, AB0078872, DB-061275, 5-Methoxy-2H-isoquinolin-1-one, AldrichCPR, FT-0769265, L-3187, Z1201620504, C10H9NO2, CID928820, ZINC00519153,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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