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116409-35-9 | 1(2H)-Isoquinolinone, 8-methyl-
CAS No: 116409-35-9 Catalog No: AG000CFA MDL No:
Product Description
Catalog Number:
AG000CFA
Chemical Name:
1(2H)-Isoquinolinone, 8-methyl-
CAS Number:
116409-35-9
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
8-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H9NO/c1-7-3-2-4-8-5-6-11-10(12)9(7)8/h2-6H,1H3,(H,11,12)
InChI Key:
WXJVQHWAFBGNLS-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(=O)[nH]cc2
NSC Number:
608554
Properties
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:
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:
1.7
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