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123039-93-0 | Benzo[a]phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6aR,12bS)-rel-
CAS No: 123039-93-0 Catalog No: AG000JZR MDL No:
Product Description
Catalog Number:
AG000JZR
Chemical Name:
Benzo[a]phenanthridine-10,11-diol, 5,6,6a,7,8,12b-hexahydro-, (6aR,12bS)-rel-
CAS Number:
123039-93-0
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
InChI:
InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1
InChI Key:
BGOQGUHWXBGXJW-YOEHRIQHSA-N
SMILES:
Oc1cc2CC[C@@H]3[C@@H](c2cc1O)c1ccccc1CN3
UNII:
U4MPC92UC2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
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