Umbelliferone
Properties
- Molecular formula
- C9H6O3
- Molar mass
- 162.14 g/mol
- Exact mass
- 162.0317 Da
- Melting point
- 230.5 °C
- logP
- 1.50Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation98.8% of notifiers
- H319 Causes serious eye irritation98.8% of notifiers
- H335 May cause respiratory irritation98.2% of notifiers
Aggregated from 166 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
93-35-6SMILES
O=c1ccc2ccc(O)cc2o1InChIKey
ORHBXUUXSCNDEV-UHFFFAOYSA-NInChI
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- 2H-1-Benzopyran-2-one, 7-hydroxy-
- Coumarin, 7-hydroxy-
- 7-Hydroxy-2H-1-benzopyran-2-one
- Hydrangine
- 7-Hydroxycoumarin
- 7-Oxycoumarin
- Skimmetin
- Skimmetine
- Hydrangin
- Umbelliferon
- 7-Hydroxy-2-chromenone
- 7-Hydroxy-2H-chromen-2-one
- NSC 19790
- 7-Hydroxylcoumarin
Work with Umbelliferone
Similar compounds
Aesculetin305-01-161 % similar
7-Methylcoumarin2445-83-256 % similar
5,7-Dihydroxycoumarin2732-18-556 % similar
Coumarin91-64-553 % similar
4-Methylumbelliferone90-33-553 % similar
Herniarin531-59-951 % similar
3-Cyano-7-hydroxycoumarin19088-73-450 % similar
Psoralen66-97-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds