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77077-83-9 | 1(2H)-Isoquinolinone,4-methyl-
CAS No: 77077-83-9 Catalog No: AG005EFK MDL No:
Product Description
Catalog Number:
AG005EFK
Chemical Name:
1(2H)-Isoquinolinone,4-methyl-
CAS Number:
77077-83-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
4-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H9NO/c1-7-6-11-10(12)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
InChI Key:
QTMDNWRHSMJECC-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c2c1cccc2)C
Properties
Complexity:
232
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:
1.2
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