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87781-85-9 | 2H-Quinolizine, 1,3,4,6,7,9a-hexahydro-6-(4-methoxyphenyl)-, trans-
CAS No: 87781-85-9 Catalog No: AG004FAD MDL No:
Product Description
Catalog Number:
AG004FAD
Chemical Name:
2H-Quinolizine, 1,3,4,6,7,9a-hexahydro-6-(4-methoxyphenyl)-, trans-
CAS Number:
87781-85-9
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
(6R,9aR)-6-(4-methoxyphenyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine
InChI:
InChI=1S/C16H21NO/c1-18-15-10-8-13(9-11-15)16-7-4-6-14-5-2-3-12-17(14)16/h4,6,8-11,14,16H,2-3,5,7,12H2,1H3/t14-,16-/m1/s1
InChI Key:
RHLGFXMWIPREFJ-GDBMZVCRSA-N
SMILES:
COc1ccc(cc1)[C@H]1CC=C[C@@H]2N1CCCC2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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