Basic information
- CAS
82975-95-9- Standard SMILES
CCC(O)CC(CC)COC(=O)c1ccccc1C(=O)O- InChIKey
JPXTXUPUJOOPOM-UHFFFAOYSA-N- Molecular formula
- C16H22O5
- Average molar mass
- 294.34 g/mol
- Monoisotopic mass
- 294.1467238
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 1-(2-ethyl-4-hydroxyhexyl) ester
- IUPAC
- 2-(2-ethyl-4-hydroxyhexoxy)carbonylbenzoic acid
Names & synonyms
82975-95-91,2-Benzenedicarboxylic acid, 1-(2-ethyl-4-hydroxyhexyl) esterDTXSID7010030402-{[(2-ETHYL-4-HYDROXYHEXYL)OXY]CARBONYL}BENZOIC ACID
Database identifiers
- CAS
82975-95-9- PubChem CID
- 190059
- DTXSID
DTXSID701003040
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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