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87657-20-3 | Benzo[f]quinoline-7,9-diol, 1,2,3,4,4a,5,6,10b-octahydro-, cis-
CAS No: 87657-20-3 Catalog No: AG004H8F MDL No:
Product Description
Catalog Number:
AG004H8F
Chemical Name:
Benzo[f]quinoline-7,9-diol, 1,2,3,4,4a,5,6,10b-octahydro-, cis-
CAS Number:
87657-20-3
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol
InChI:
InChI=1S/C13H17NO2/c15-8-6-11-9-2-1-5-14-12(9)4-3-10(11)13(16)7-8/h6-7,9,12,14-16H,1-5H2/t9-,12+/m1/s1
InChI Key:
RTZCGMQBIRBCHE-SKDRFNHKSA-N
SMILES:
Oc1cc(O)c2c(c1)[C@H]1CCCN[C@H]1CC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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