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52851-41-9 | 4-Hydroxyquinolin-2(1H)-one
CAS No: 52851-41-9 Catalog No: AG00DHWT MDL No:MFCD00006744
Product Description
Catalog Number:
AG00DHWT
Chemical Name:
4-Hydroxyquinolin-2(1H)-one
CAS Number:
52851-41-9
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00006744
IUPAC Name:
1H-quinoline-2,4-dione
InChI:
InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4H,5H2,(H,10,12)
InChI Key:
YZMVLKJJJCMVGX-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)c2c(N1)cccc2
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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