4-Hydroxycoumarin
Properties
- Molecular formula
- C9H6O3
- Molar mass
- 162.14 g/mol
- Exact mass
- 162.0317 Da
- Melting point
- 206 °C
- logP
- 1.50Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed90.9% of notifiers
- H315 Causes skin irritation22.8% of notifiers
- H319 Causes serious eye irritation22.8% of notifiers
- H335 May cause respiratory irritation22% of notifiers
Aggregated from 254 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
1076-38-6SMILES
O=c1cc(O)c2ccccc2o1InChIKey
VXIXUWQIVKSKSA-UHFFFAOYSA-NInChI
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2H-1-Benzopyran-2-one, 4-hydroxy-
- Coumarin, 4-hydroxy-
- 4-Hydroxy-2H-1-benzopyran-2-one
- Benzotetronic acid
- 4-Coumarinol
- 4-Hydroxy-2H-benzo[b]pyran-2-one
- NSC 11889
- 4-Hydroxychromen-2-one
- 4-Hydroxycoumariin
- 4-Hydroxy-2H-chromen-2-one
- 4-Hydroxy-2H-benzopyran-2-one
- Naian
Work with 4-Hydroxycoumarin
Similar compounds
4-Hydroxy-6-methylcoumarin13252-83-060 % similar
6-Chloro-4-hydroxycoumarin19484-57-260 % similar
6-Bromo-4-hydroxycoumarin4139-61-160 % similar
4-Methylcoumarin607-71-658 % similar
5,7-Dihydroxycoumarin2732-18-554 % similar
4-Methoxycourmarin20280-81-353 % similar
4-Ethoxycoumarin35817-27-749 % similar
1-Dibenzofuranol33483-06-647 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds