AG00DHYB

4594-71-2 | 2-Methyl-1(2H)-isoquinolone

AG00DHYB

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CAS Number	4594-71-2
Catalog Number	AG00DHYB(AGN-PC-0JLRAW)
Chemical Name	2-Methyl-1(2H)-isoquinolone
IUPAC Name	2-methylisoquinolin-1-one
InChI	InChI=1S/C10H9NO/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3
InChI Key	YJRMHIKEMDTYDR-UHFFFAOYSA-N
MDL Number	MFCD00040275
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	O=C1N(C)C=CC2=C1C=CC=C2
Synonyms	2-Methylisoquinolin-1(2H)-one, 4594-71-2, N-Methylisocarbostyril, 1(2H)-Isoquinolinone, 2-methyl-, 2-methylisoquinolin-1-one, 2-METHYL-1(2H)-ISOQUINOLONE, 2-Methyl-1(2H)-isoquinolinone, YJRMHIKEMDTYDR-UHFFFAOYSA-N, 2-methylisoquinolinone, AC1L2V0U, AC1Q6DW0, SCHEMBL123411, 2-methyl-2H-isoquinolin-1-one, CTK4I9028, DTXSID30196662, 1(2H)-Isoquinolinone,2-methyl-, 2-Methyl-1(2H)-isoquinolinone #, ZINC5783628, 6318AB, MFCD00040275, QC-842, AKOS016000373, CS-W009059, DS-5416, KS-00000R01, AJ-54850, AK118859, FT-0686255, InChI=1/C10H9NO/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H, C10H9NO, C10-H9-N-O, CID78343, AR-1K7651, 57310-39-1,

Complexity	222
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	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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