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87657-06-5 | Benzo[f]quinoline, 1,2,3,4,4a,5,6,10b-octahydro-7,9-dimethoxy-, trans-
CAS No: 87657-06-5 Catalog No: AG004KVQ MDL No:
Product Description
Catalog Number:
AG004KVQ
Chemical Name:
Benzo[f]quinoline, 1,2,3,4,4a,5,6,10b-octahydro-7,9-dimethoxy-, trans-
CAS Number:
87657-06-5
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
(4aS,10bS)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
InChI:
InChI=1S/C15H21NO2/c1-17-10-8-13-11-4-3-7-16-14(11)6-5-12(13)15(9-10)18-2/h8-9,11,14,16H,3-7H2,1-2H3/t11-,14-/m0/s1
InChI Key:
YAJBETWORMKDBP-FZMZJTMJSA-N
SMILES:
COc1cc(OC)c2c(c1)[C@@H]1CCCN[C@H]1CC2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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