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131002-10-3 | 1(2H)-Isoquinolinone, 6-methyl-
CAS No: 131002-10-3 Catalog No: AG000VBI MDL No:MFCD11559024
Product Description
Catalog Number:
AG000VBI
Chemical Name:
1(2H)-Isoquinolinone, 6-methyl-
CAS Number:
131002-10-3
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD11559024
IUPAC Name:
6-methyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12)
InChI Key:
AVBPTIYKXNVKNJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc[nH]c2=O
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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