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17605-92-4 | 5,6-Quinolinediol, 8-amino-
CAS No: 17605-92-4 Catalog No: AG0021E9 MDL No:
Product Description
Catalog Number:
AG0021E9
Chemical Name:
5,6-Quinolinediol, 8-amino-
CAS Number:
17605-92-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
8-aminoquinoline-5,6-diol
InChI:
InChI=1S/C9H8N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-4,12-13H,10H2
InChI Key:
VUYJUNNNRNSMEG-UHFFFAOYSA-N
SMILES:
Oc1cc(N)c2c(c1O)cccn2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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