Basic information
- Standard SMILES
CCCCOc1ccc2occ(C(=O)OC)c(=O)c2c1- InChIKey
NSWRIFICBMSAER-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Names & identifiers
- Preferred name
- Methyl 6-butoxy-4-oxo-4H-chromen-3-carboxylate
- IUPAC
- methyl 6-butoxy-4-oxochromene-3-carboxylate
Names & synonyms
SCHEMBL7950756NSWRIFICBMSAER-UHFFFAOYSA-NMethyl 6-butoxy-4-oxo-4H-chromen-3-carboxylate
Database identifiers
- PubChem CID
- 10934701
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Related reactions
2 records
Compound notes
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