Angelicin
Properties
- Molecular formula
- C11H6O3
- Molar mass
- 186.17 g/mol
- Exact mass
- 186.0317 Da
- Melting point
- 142 °C
- Water solubility
- 20 mg/L
- logP
- 2.54Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin90.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled90.5% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
- H351 Suspected of causing cancer90.5% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
523-50-2SMILES
O=c1ccc2ccc3occc3c2o1InChIKey
XDROKJSWHURZGO-UHFFFAOYSA-NInChI
InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2H-Furo[2,3-h]-1-benzopyran-2-one
- Isopsoralen
- Angelicin (coumarin derivative)
- 2-Propenoic acid, 3-(4-hydroxy-5-benzofuranyl)-, δ-lactone
- Furo[5′,4′:7,8]coumarin
- Angecin
- Furo[2,3-h]coumarin
- NSC 404563
- 2H-Furo[2,3-h]chromen-2-one
Work with Angelicin
Similar compounds
Xanthotoxol2009-24-746 % similar
Bergaptol486-60-246 % similar
Isopimpinellin482-27-944 % similar
Daphnetin486-35-143 % similar
Pimpinellin131-12-443 % similar
8-Methoxypsoralen298-81-743 % similar
Bergapten484-20-843 % similar
Coumarin91-64-541 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.