Basic information
- Standard SMILES
C=CCOC(=O)c1c(C)c(OC)cc(O)c1C=O- InChIKey
CQSWWYJDIZLGSP-UHFFFAOYSA-N- Molecular formula
- C13H14O5
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.08412354
Names & identifiers
- Preferred name
- 2-Formyl-3-hydroxy-5-methoxy-6-methylbenzoic acid allyl ester
- IUPAC
- prop-2-enyl 2-formyl-3-hydroxy-5-methoxy-6-methylbenzoate
Names & synonyms
SCHEMBL8869807CQSWWYJDIZLGSP-UHFFFAOYSA-N2-formyl-3-hydroxy -5-methoxy-6-methylbenzoic acid allyl ester2-formyl-3-hydroxy-5-methoxy-6-methylbenzoic acid allyl ester
Database identifiers
- PubChem CID
- 53735263
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
11 records
Compound notes
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