Basic information
- Standard SMILES
Cc1cc2c(ccc3cc(C)c(=O)oc32)o1- InChIKey
GVJWIPVKSNGMIZ-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Names & identifiers
- Preferred name
- Angelicin,3,5'-dimethyl
- IUPAC
- 3,8-dimethylfuro[2,3-h]chromen-2-one
Names & synonyms
ANGELICIN,3,5'-DIMETHYLDTXSID10877109RefChem:319569DTXCID401015193NOCAS_8771093,8-Dimethyl-2H-furo[2,3-h][1]benzopyran-2-one
Database identifiers
- PubChem CID
- 21789840
- DTXSID
DTXSID10877109
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
LogP2.97
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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