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86933-77-9 | 2H-Quinolizin-2-one, octahydro-4-(4-methoxyphenyl)-, trans-
CAS No: 86933-77-9 Catalog No: AG004L9L MDL No:
Product Description
Catalog Number:
AG004L9L
Chemical Name:
2H-Quinolizin-2-one, octahydro-4-(4-methoxyphenyl)-, trans-
CAS Number:
86933-77-9
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
(4S,9aS)-4-(4-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
InChI:
InChI=1S/C16H21NO2/c1-19-15-7-5-12(6-8-15)16-11-14(18)10-13-4-2-3-9-17(13)16/h5-8,13,16H,2-4,9-11H2,1H3/t13-,16-/m0/s1
InChI Key:
OIUSAKLCHAZQKI-BBRMVZONSA-N
SMILES:
COc1ccc(cc1)[C@@H]1CC(=O)C[C@H]2N1CCCC2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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