6-Hydroxycoumarin

C9H6O3CAS 6093-68-1162.14 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C9H6O3
Molar mass
162.14 g/mol
Exact mass
162.0317 Da
logP
1.50Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
6093-68-1
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1O
InChIKey
CJIJXIFQYOPWTF-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H

Weigh it out

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

Names and synonyms

1 names
  • 6-Hydroxy-2H-chromen-2-one

Work with 6-Hydroxycoumarin

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

Umbelliferone93-35-676 % similar Aesculetin305-01-159 % similar 6-Methylcoumarin92-48-858 % similar 6-Formaldehydecoumarin51690-26-754 % similar 6-Carboxycoumarin7734-80-754 % similar 6-Aminocoumarin hydrochloride63989-79-753 % similar Coumarin91-64-552 % similar 6-Hydroxy-4-methylcoumarin2373-31-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxycoumarin1076-38-6 4-Benzofurancarboxylic acid166599-84-4 4-Methylphthalic anhydride19438-61-0 1,3,5-Benzenetricarboxaldehyde3163-76-6 3-Methylphthalic anhydride4792-30-7 2-Benzofurancarboxylic acid496-41-3 Homophthalic anhydride703-59-3 1-Benzofuran-6-carboxylic acid77095-51-3

Elsewhere

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