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75688-91-4 | 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-7-phenyl-, trans-
CAS No: 75688-91-4 Catalog No: AG008PK3 MDL No:
Product Description
Catalog Number:
AG008PK3
Chemical Name:
2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-7-phenyl-, trans-
CAS Number:
75688-91-4
Molecular Formula:
C19H19NO
Molecular Weight:
277.3603
IUPAC Name:
(7R,11bS)-7-phenyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChI:
InChI=1S/C19H19NO/c21-15-10-11-20-13-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)19(20)12-15/h1-9,18-19H,10-13H2/t18-,19+/m1/s1
InChI Key:
AYRILHNEPGTERB-MOPGFXCFSA-N
SMILES:
O=C1CCN2[C@@H](C1)c1ccccc1[C@H](C2)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.367g/mol
Monoisotopic Mass:
277.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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