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77831-91-5 | Benz[f]isoquinolin-9-ol,1,2,3,4,4a,5,6,10b-octahydro-3,10b-dimethyl-, cis- (9CI)
CAS No: 77831-91-5 Catalog No: AG005RKP MDL No:
Product Description
Catalog Number:
AG005RKP
Chemical Name:
Benz[f]isoquinolin-9-ol,1,2,3,4,4a,5,6,10b-octahydro-3,10b-dimethyl-, cis- (9CI)
CAS Number:
77831-91-5
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(4aR,10bR)-3,10b-dimethyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinolin-9-ol
InChI:
InChI=1S/C15H21NO/c1-15-7-8-16(2)10-12(15)5-3-11-4-6-13(17)9-14(11)15/h4,6,9,12,17H,3,5,7-8,10H2,1-2H3/t12-,15+/m0/s1
InChI Key:
TYKZHZMWLHFJCS-SWLSCSKDSA-N
SMILES:
CN1CC[C@]2([C@@H](C1)CCc1c2cc(O)cc1)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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