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51463-02-6 | 7-methyl-2,3-dihydroisoquinolin-3-one
CAS No: 51463-02-6 Catalog No: AG01BD75 MDL No:MFCD24560387
Product Description
Catalog Number:
AG01BD75
Chemical Name:
7-methyl-2,3-dihydroisoquinolin-3-one
CAS Number:
51463-02-6
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD24560387
IUPAC Name:
7-methyl-2H-isoquinolin-3-one
InChI:
InChI=1S/C10H9NO/c1-7-2-3-8-5-10(12)11-6-9(8)4-7/h2-6H,1H3,(H,11,12)
InChI Key:
BJPGLZPADUQUHB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c[nH]c(=O)c2
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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