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103620-19-5 | (7s,8s)-7,8,9,10-tetrahydrobenzo[f]quinoline-7,8-diol
CAS No: 103620-19-5 Catalog No: AG007G99 MDL No:
Product Description
Catalog Number:
AG007G99
Chemical Name:
(7s,8s)-7,8,9,10-tetrahydrobenzo[f]quinoline-7,8-diol
CAS Number:
103620-19-5
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
(7S,8S)-7,8,9,10-tetrahydrobenzo[f]quinoline-7,8-diol
InChI:
InChI=1S/C13H13NO2/c15-12-6-4-8-9-2-1-7-14-11(9)5-3-10(8)13(12)16/h1-3,5,7,12-13,15-16H,4,6H2/t12-,13-/m0/s1
InChI Key:
FDHYGMRWSSLSJO-STQMWFEESA-N
SMILES:
O[C@H]1CCc2c([C@@H]1O)ccc1c2cccn1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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