5,7-Dihydroxycoumarin

C₉H₆O₄CAS 2732-18-5178.14 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₉H₆O₄
Molar mass: 178.14 g/mol
Exact mass: 178.0266 Da
logP: 1.20Crippen estimate
Polar surface area: 70.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2732-18-5

SMILES

C1=CC(=O)OC2=CC(=CC(=C21)O)O

InChIKey

KIQQFVJHWNCGAU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H

Weigh it out

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

Names and synonyms

1 names

2H-1-Benzopyran-2-one, 5,7-dihydroxy-

Work with 5,7-Dihydroxycoumarin

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

Umbelliferone93-35-656 % similar 4-Hydroxycoumarin1076-38-654 % similar 4-Methylumbelliferone90-33-553 % similar 5,7-Dihydroxy-4-methylcoumarin2107-76-851 % similar 6-Hydroxycoumarin6093-68-150 % similar 7-Hydroxy-4-(trifluoromethyl)coumarin575-03-149 % similar 6-Bromo-4-hydroxycoumarin4139-61-149 % similar Bergaptol486-60-249 % similar

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

Same formula

Aesculetin305-01-1 5,7-Dihydroxychromone31721-94-5 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid4792-29-4 Ninhydrin485-47-2 Daphnetin486-35-1 2-Hydroxy-1,3,5-benzenetricarbaldehyde81502-74-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook