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Home > Quinoline > 1082041-78-8
1082041-78-8 | 6-methyl-3,4-dihydro-2H-isoquinolin-1-one
CAS No: 1082041-78-8 Catalog No: AG00HB3G MDL No:MFCD09838960
Product Description
Catalog Number:
AG00HB3G
Chemical Name:
6-methyl-3,4-dihydro-2H-isoquinolin-1-one
CAS Number:
1082041-78-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09838960
IUPAC Name:
6-methyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
UYZJTSNVWCNCIR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCNC2=O
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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