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90800-43-4 | 5,8-Quinolinedione, 4-hydroxy-2-methyl-
CAS No: 90800-43-4 Catalog No: AG006ADN MDL No:
Product Description
Catalog Number:
AG006ADN
Chemical Name:
5,8-Quinolinedione, 4-hydroxy-2-methyl-
CAS Number:
90800-43-4
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
2-methyl-1H-quinoline-4,5,8-trione
InChI:
InChI=1S/C10H7NO3/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11-5/h2-4H,1H3,(H,11,14)
InChI Key:
KJLIJEUZKMWVAO-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)C(=O)C=CC2=O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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