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51463-11-7 | 6-METHYL-2H-ISOQUINOLIN-3-ONE
CAS No: 51463-11-7 Catalog No: AG00DIW4 MDL No:MFCD12546459
Product Description
Catalog Number:
AG00DIW4
Chemical Name:
6-METHYL-2H-ISOQUINOLIN-3-ONE
CAS Number:
51463-11-7
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD12546459
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
SMILES:
Cc1ccc2c(c1)cc(nc2)O
Properties
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
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