AG00DIW4

51463-11-7 | 6-Methyl-3(2H)-Isoquinolinone

AG00DIW4

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CAS Number	51463-11-7
Catalog Number	AG00DIW4(AGN-PC-0NIYCZ)
Chemical Name	6-Methyl-3(2H)-Isoquinolinone
IUPAC Name	6-methyl-2H-isoquinolin-3-one
InChI	InChI=1S/C10H9NO/c1-7-2-3-8-6-11-10(12)5-9(8)4-7/h2-6H,1H3,(H,11,12)
InChI Key	PHCMNLKEJZUTIQ-UHFFFAOYSA-N
MDL Number	MFCD12546459
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	O=c1cc2c(c[nH]1)ccc(c2)C
Synonyms	6-Methylisoquinolin-3-ol, 51463-11-7, 6-METHYL-3-HYDROXYISOQUINOLINE, 6-METHYL-2H-ISOQUINOLIN-3-ONE, 6-METHYLISOQUINOLIN-3(2H)-ONE, 3(2H)-Isoquinolinone, 6-methyl-, ACMC-209ktv, 3-hydroxy-6-methylisoquinoline, SCHEMBL2749377, CTK1G4742, DTXSID60498186, PHCMNLKEJZUTIQ-UHFFFAOYSA-N, ANW-31265, MFCD12546459, ZINC38537230, AKOS006343995, AKOS015996118, MB08960, AJ-95991, CJ-19397, TR-036937, V6326, 6-METHYL-2,3-DIHYDROISOQUINOLIN-3-ONE, K-9456, I08-599, C10H9NO, 6-Methyl-2H-isoquinolin-3-one, 98% - 1G 1g, N/A,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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