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371756-25-1 | 7-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 371756-25-1 Catalog No: AG007AG3 MDL No:MFCD04114868
Product Description
Catalog Number:
AG007AG3
Chemical Name:
7-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
371756-25-1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD04114868
IUPAC Name:
7-methyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO/c1-7-2-3-8-4-5-11-10(12)9(8)6-7/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
WVWNQPALSDVRTJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)NCC2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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