3-Methoxy-4'-methylpsoralen
Basic information
- CAS
79418-47-6- Standard SMILES
COc1cc2cc3c(C)coc3cc2oc1=O- InChIKey
BDLQXDUSRMYDNS-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 3-Methoxy-4'-methylpsoralen
- IUPAC
- 6-methoxy-3-methylfuro[3,2-g]chromen-7-one
Names & synonyms
3-Methoxy-4'-methylpsoralen79418-47-66-Methoxy-3-methyl-7H-furo(3,2-g)(1)benzopyran-7-one6-Methoxy-3-methyl-7H-furo[3,2-g][1]benzopyran-7-oneDTXSID302296417H-Furo(3,2-g)(1)benzopyran-7-one, 6-methoxy-3-methyl-
Database identifiers
- CAS
79418-47-6- PubChem CID
- 149771
- DTXSID
DTXSID30229641
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…