Basic information
- Standard SMILES
COc1cc(OC(=O)C2CCOCC2)ccc1C(=O)O- InChIKey
CJDQJNHGTRRELN-UHFFFAOYSA-N- Molecular formula
- C14H16O6
- Average molar mass
- 280.27 g/mol
Names & identifiers
- Preferred name
- 4-(4-Tetrahydropyranoyloxy)-2-methoxy-benzoic acid
- IUPAC
- 2-methoxy-4-(oxane-4-carbonyloxy)benzoic acid
Names & synonyms
SCHEMBL7351022CJDQJNHGTRRELN-UHFFFAOYSA-N4-(4-tetrahydropyranoyloxy)-2-methoxy-benzoic acid
Database identifiers
- PubChem CID
- 57101147
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
2 records
Compound notes
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