Pimpinellin
Properties
- Molecular formula
- C13H10O5
- Molar mass
- 246.22 g/mol
- Exact mass
- 246.0528 Da
- Melting point
- 119 °C
- Water solubility
- practically insoluble
- logP
- 2.56Crippen estimate
- Polar surface area
- 61.8 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage50% of notifiers
- H331 Toxic if inhaled50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
131-12-4SMILES
COc1c(OC)c2occc2c2oc(=O)ccc12InChIKey
BQPRWZCEKZLBHL-UHFFFAOYSA-NInChI
InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2H-Furo[2,3-h]-1-benzopyran-2-one, 5,6-dimethoxy-
- 5,6-Dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one
- Pimpinelline
- Pimpinecilin
- 6,7-Dimethoxyangelicin
- Pimpinelin
Work with Pimpinellin
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds