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87707-12-8 | 5,6-Quinolinediol,5,6-dihydro-
CAS No: 87707-12-8 Catalog No: AG004GI4 MDL No:
Product Description
Catalog Number:
AG004GI4
Chemical Name:
5,6-Quinolinediol,5,6-dihydro-
CAS Number:
87707-12-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
5,6-dihydroquinoline-5,6-diol
InChI:
InChI=1S/C9H9NO2/c11-8-4-3-7-6(9(8)12)2-1-5-10-7/h1-5,8-9,11-12H
InChI Key:
RXMLUIZBBRMXFQ-UHFFFAOYSA-N
SMILES:
OC1C(O)C=Cc2c1cccn2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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