chempirical

5,7-Dihydroxychromone

C9H6O4CAS 31721-94-5178.14 g/mol

Open in Covalent MOL file
OOHOOH
Phenol

Properties

Molecular formula
C9H6O4
Molar mass
178.14 g/mol
Exact mass
178.0266 Da
Melting point
272–273 °C
logP
1.20Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
31721-94-5
SMILES
O=c1ccoc2cc(O)cc(O)c12
InChIKey
NYCXYKOXLNBYID-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H

Weigh it out

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

Names and synonyms

4 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-
  • Chromone, 5,7-dihydroxy-
  • 5,7-Dihydroxy-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-4-chromone

Work with 5,7-Dihydroxychromone

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

Noreugenin1013-69-054 % similar Apigenin520-36-554 % similar Chrysin480-40-052 % similar Luteolin491-70-351 % similar Genistein446-72-049 % similar Acacetin480-44-446 % similar Demethylbellidifolin2980-32-745 % similar Chrysoeriol491-71-444 % similar

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

Same formula

Aesculetin305-01-1 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid4792-29-4 Ninhydrin485-47-2 Daphnetin486-35-1

Elsewhere

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