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955938-89-3 | Quinoline-4,7-diol
CAS No: 955938-89-3 Catalog No: AG005ZPN MDL No:MFCD11099575
Product Description
Catalog Number:
AG005ZPN
Chemical Name:
Quinoline-4,7-diol
CAS Number:
955938-89-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD11099575
IUPAC Name:
7-hydroxy-1H-quinolin-4-one
InChI:
InChI=1S/C9H7NO2/c11-6-1-2-7-8(5-6)10-4-3-9(7)12/h1-5,11H,(H,10,12)
InChI Key:
VJOPQSBUEFGOSD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)[nH]ccc2=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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