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87657-22-5 | Benzo[f]quinoline-7,9-diol, 4-ethyl-1,2,3,4,4a,5,6,10b-octahydro-, cis-
CAS No: 87657-22-5 Catalog No: AG004KVP MDL No:
Product Description
Catalog Number:
AG004KVP
Chemical Name:
Benzo[f]quinoline-7,9-diol, 4-ethyl-1,2,3,4,4a,5,6,10b-octahydro-, cis-
CAS Number:
87657-22-5
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
(4aS,10bR)-4-ethyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
InChI:
InChI=1S/C15H21NO2/c1-2-16-7-3-4-11-13-8-10(17)9-15(18)12(13)5-6-14(11)16/h8-9,11,14,17-18H,2-7H2,1H3/t11-,14+/m1/s1
InChI Key:
SPRTWGPZKJDLPD-RISCZKNCSA-N
SMILES:
CCN1CCC[C@H]2[C@@H]1CCc1c2cc(cc1O)O
Properties
Complexity:
296
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:
2
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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