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176796-78-4 | 2-benzyl-5-methyl-1,2,3,4,6,7,8,8a-octahydroisoquinolin-6-one
CAS No: 176796-78-4 Catalog No: AG01B8BS MDL No:MFCD28954036
Product Description
Catalog Number:
AG01B8BS
Chemical Name:
2-benzyl-5-methyl-1,2,3,4,6,7,8,8a-octahydroisoquinolin-6-one
CAS Number:
176796-78-4
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
MDL Number:
MFCD28954036
IUPAC Name:
2-benzyl-5-methyl-1,3,4,7,8,8a-hexahydroisoquinolin-6-one
InChI:
InChI=1S/C17H21NO/c1-13-16-9-10-18(11-14-5-3-2-4-6-14)12-15(16)7-8-17(13)19/h2-6,15H,7-12H2,1H3
InChI Key:
RSYVNHWRVIQHLV-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(=C1C)CCN(C2)Cc1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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