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Home > Quinoline > 114416-29-4
114416-29-4 | Benzo[f]quinoline-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-
CAS No: 114416-29-4 Catalog No: AG000BAH MDL No:
Product Description
Catalog Number:
AG000BAH
Chemical Name:
Benzo[f]quinoline-7,8-diol, 7,8-dihydro-, (7R,8R)-rel-
CAS Number:
114416-29-4
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
(7S,8S)-7,8-dihydrobenzo[f]quinoline-7,8-diol
InChI:
InChI=1S/C13H11NO2/c15-12-6-4-8-9-2-1-7-14-11(9)5-3-10(8)13(12)16/h1-7,12-13,15-16H/t12-,13-/m0/s1
InChI Key:
LSXFCKKEJKCERY-STQMWFEESA-N
SMILES:
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cccn1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/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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