Basic information
- CAS
51559-33-2- Standard SMILES
CC(=CCOc1ccc2ccc(=O)oc2c1)CC1C=C(C)C(=O)O1- InChIKey
CFNMUZCFSDMZPQ-UHFFFAOYSA-N- Molecular formula
- C19H18O5
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.11542367
Names & identifiers
- Preferred name
- 7-[[4-(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)-3-methyl-2-buten-1-yl]oxy]-2H-1-benzopyran-2-one
- IUPAC
- 7-[3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]chromen-2-one
Names & synonyms
DTXSID501346925NCI60_0032287-[[4-(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)-3-methyl-2-buten-1-yl]oxy]-2H-1-benzopyran-2-one
Database identifiers
- CAS
51559-33-2- PubChem CID
- 337783
- DTXSID
DTXSID501346925
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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