8-Geranyloxypsoralen
Properties
- Molecular formula
- C21H22O4
- Molar mass
- 338.40 g/mol
- Exact mass
- 338.1518 Da
- Melting point
- 53–54 °C
- logP
- 5.61Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 6
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501
Identifiers
CAS number
7437-55-0SMILES
CC(C)=CCC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12InChIKey
SOVNCTNQAWWYAQ-OQLLNIDSSA-NInChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
- 5-Benzofuranacrylic acid, 7-(geranyloxy)-6-hydroxy-, δ-lactone
- 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-
- 9-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
Work with 8-Geranyloxypsoralen
Similar compounds
Imperatorin482-44-082 % similar
Auraptene495-02-362 % similar
Phellopterin2543-94-454 % similar
8-Methoxypsoralen298-81-752 % similar
(+)-Heraclenin2880-49-150 % similar
Isoimperatorin482-45-149 % similar
(+)-Heraclenol31575-93-648 % similar
Notopterol88206-46-644 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds