Basic information
- CAS
37622-62-1- Standard SMILES
CCCCCCCOC(=O)c1cc(O)cc(O)c1- InChIKey
WVLHROSBNLITLX-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dihydroxy-, heptyl ester
- IUPAC
- heptyl 3,5-dihydroxybenzoate
Names & synonyms
alpha-Resorcylic acid heptyl ester3,5-Dihydroxybenzoic acid heptyl esterBENZOIC ACID, 3,5-DIHYDROXY-, HEPTYL ESTERBRN 330207837622-62-1DTXSID801910613-10-00-01448 (Beilstein Handbook Reference)RefChem:327072DTXCID90113552heptyl 3,5-dihydroxybenzoateWVLHROSBNLITLX-UHFFFAOYSA-N
Database identifiers
- CAS
37622-62-1- PubChem CID
- 37795
- DTXSID
DTXSID80191061- Nikkaji
- J561.660C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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