chempirical

7-Hydroxycoumarin-3-carboxylic acid

C10H6O5CAS 779-27-1206.15 g/mol

Open in Covalent MOL file
OHOOHOO
Carboxylic acidPhenol

Properties

Molecular formula
C10H6O5
Molar mass
206.15 g/mol
Exact mass
206.0215 Da
Melting point
210–211 °C
logP
1.20Crippen estimate
Polar surface area
87.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
779-27-1
SMILES
O=C(O)c1cc2ccc(O)cc2oc1=O
InChIKey
LKLWLDOUZJEHDY-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)

Weigh it out

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

Names and synonyms

9 names
  • 2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-
  • 7-Hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
  • 3-Carboxy-7-hydroxycoumarin
  • Umbelliferone-3-carboxylic acid
  • 3-Carboxyumbelliferone
  • NSC 115545
  • 7-Hydroxycoumarin carboxylic acid
  • 7-Hydroxycoumarinyl-3-carboxylic acid
  • 7-Hydroxy-2-oxobenzopyran-3-carboxylic acid

Work with 7-Hydroxycoumarin-3-carboxylic 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

Coumarin-3-carboxylic acid531-81-767 % similar 6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-360 % similar 4-Hydroxyphthalic acid610-35-550 % similar Gentisic acid490-79-948 % similar Umbelliferone93-35-648 % similar 5-Hydroxy-2-nitrobenzoic acid610-37-747 % similar 6-Hydroxy-2-naphthoic acid16712-64-446 % similar 6-Hydroxy-1-naphthoic acid2437-17-445 % similar

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

Elsewhere

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