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1082041-79-9 | 8-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 1082041-79-9 Catalog No: AG009120 MDL No:MFCD11007915
Product Description
Catalog Number:
AG009120
Chemical Name:
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
1082041-79-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD11007915
IUPAC Name:
8-methyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO/c1-7-3-2-4-8-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChI Key:
YTAVXUVDTBJJMT-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1c(C)ccc2
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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