Clausindine
Basic information
- CAS
50886-70-9- Standard SMILES
CC1(C)CC1c1cc2cc3ccoc3cc2oc1=O- InChIKey
IXLICOBIKMGSAV-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Overview
Clausindine has been reported in Ruta chalepensis and Ruta montana with data available.
Names & identifiers
- Preferred name
- Clausindine
- IUPAC
- 6-(2,2-dimethylcyclopropyl)furo[3,2-g]chromen-7-one
- English name
- RUTOLIDE
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
ClausindineRutolide50886-70-96-(2,2-dimethylcyclopropyl)furo[3,2-g]chromen-7-one6-(2,2-dimethylcyclopropyl)furo(3,2-g)chromen-7-oneRefChem:918785DTXSID609651266-(2,2-Dimethylcyclopropyl)-7H-furo[3,2-g][1]benzopyran-7-one7H-Furo(3,2-g)(1)benzopyran-7-one, 6-(2,2-dimethylcyclopropyl)-Clausindin7H-Furo[3,2-g][1]benzopyran-7-one, 6-(2,2-dimethylcyclopropyl)-
Database identifiers
- CAS
50886-70-9- PubChem CID
- 170935
- DTXSID
DTXSID60965126- Nikkaji
- J10.267I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 398.7 · 398.7±27.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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