Daphnetin
Properties
- Molecular formula
- C9H6O4
- Molar mass
- 178.14 g/mol
- Exact mass
- 178.0266 Da
- Melting point
- 262 °C
- logP
- 1.20Crippen estimate
- Polar surface area
- 70.7 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
486-35-1SMILES
O=c1ccc2ccc(O)c(O)c2o1InChIKey
ATEFPOUAMCWAQS-UHFFFAOYSA-NInChI
InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2H-1-Benzopyran-2-one, 7,8-dihydroxy-
- Coumarin, 7,8-dihydroxy-
- 7,8-Dihydroxy-2H-1-benzopyran-2-one
- Daphnetol
- 7,8-Dihydroxycoumarin
- Ruixiangsu
- NSC 633563
- 7,8-Dihydroxy-2H-chromen-2-one
Work with Daphnetin
Similar compounds
Xanthotoxol2009-24-756 % similar
7,8-Dihydroxy-4-methylcoumarin2107-77-953 % similar
Fraxetin574-84-551 % similar
Isofraxidin486-21-545 % similar
Scopoletin92-61-544 % similar
Angelicin523-50-243 % similar
Umbelliferone93-35-642 % similar
6-Hydroxycoumarin6093-68-141 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.