chempirical

Xanthurenic acid

C10H7NO4CAS 59-00-7205.17 g/mol

Open in Covalent MOL file
OHOOHHON
Carboxylic acidPhenol

Properties

Molecular formula
C10H7NO4
Molar mass
205.17 g/mol
Exact mass
205.0375 Da
Melting point
289 °C
logP
1.34Crippen estimate
Polar surface area
90.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
59-00-7
SMILES
O=C(O)c1cc(O)c2cccc(O)c2n1
InChIKey
FBZONXHGGPHHIY-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2-Quinolinecarboxylic acid, 4,8-dihydroxy-
  • Quinaldic acid, 4,8-dihydroxy-
  • 4,8-Dihydroxy-2-quinolinecarboxylic acid
  • 4,8-Dihydroxyquinaldic acid
  • Xanthuric acid
  • 8-Hydroxykynurenic acid
  • NSC 401570

Work with Xanthurenic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

8-Hydroxyquinoline-2-carboxylic acid1571-30-861 % similar Dipicolinic acid499-83-250 % similar 2,6-Dihydroxybenzoic acid303-07-149 % similar 6-Hydroxypicolinic acid19621-92-247 % similar 1,4-Dihydroxy-2-naphthoic acid31519-22-946 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-046 % similar 3,5-Dihydroxy-2-naphthalenecarboxylic acid89-35-045 % similar 4-Methoxy-2-quinolinecarboxylic acid15733-83-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Indole-2,5-dicarboxylic acid117140-77-9 N-Phthaloylglycine4702-13-0

Elsewhere

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