AG001VLG

16101-63-6 | 1(2H)-Isoquinolinone, 6,7-dimethoxy-

AG001VLG

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CAS Number	16101-63-6
Catalog Number	AG001VLG(AGN-PC-0KS8ZB)
Chemical Name	1(2H)-Isoquinolinone, 6,7-dimethoxy-
IUPAC Name	6,7-dimethoxy-2H-isoquinolin-1-one
InChI	InChI=1S/C11H11NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h3-6H,1-2H3,(H,12,13)
InChI Key	RSCNYUAUZAUCBZ-UHFFFAOYSA-N
MDL Number	MFCD00086979
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C1NC=CC2=C1C=C(OC)C(OC)=C2
Synonyms	16101-63-6, 6,7-Dimethoxyisoquinolin-1(2H)-one, 6,7-Dimethoxy-1(2H)-Isoquinolone, 6,7-dimethoxy-2H-isoquinolin-1-one, 6,7-dimethoxy-1,2-dihydroisoquinolin-1-one, RSCNYUAUZAUCBZ-UHFFFAOYSA-N, 1(2H)-Isoquinolinone, 6,7-dimethoxy-, 2H-Isoquinolin-1-one, 6,7-dimethoxy-, AC1Q4EWV, AC1Q4EWW, AC1MO03G, 6,7-Dimethoxy-isoquinolinone, 6,7-dimethoxyisoquinolin-1-ol, SCHEMBL3951034, SCHEMBL15647963, CTK4D0696, KS-00003THE, DTXSID10391355, ZINC410059, MFCD00086979, 6,7-dimethoxy-1(2H)-isoquinolinone, 6,7-Dimethoxyisoquinoline-1(2H)-one, AKOS015951300, AKOS022530723, 1(2H)-Isoquinolinone,6,7-dimethoxy-, 6,7-dimethoxy-isoquinolin-1(2H)-one, MCULE-7178453480, AJ-22790, TS-02920, ZB014009, AB1009166, FT-0692838, Z2568751838, CID3312489,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^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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