Isoimperatorin
Properties
- Molecular formula
- C16H14O4
- Molar mass
- 270.28 g/mol
- Exact mass
- 270.0892 Da
- Melting point
- 109 °C
- logP
- 3.88Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
482-45-1SMILES
CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12InChIKey
IGWDEVSBEKYORK-UHFFFAOYSA-NInChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-buten-1-yl)oxy]-
- 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-
- 4-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
Work with Isoimperatorin
Similar compounds
Bergamottin7380-40-782 % similar
Notopterol88206-46-670 % similar
Phellopterin2543-94-461 % similar
Bergapten484-20-860 % similar
Imperatorin482-44-058 % similar
Oxypeucedanin737-52-056 % similar
(+)-Oxypeucedanin hydrate2643-85-853 % similar
Bergaptol486-60-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.