1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester
Basic information
- CAS
88144-79-0- Standard SMILES
CCC(COC(=O)c1ccccc1C(=O)O)CC(O)CCO- InChIKey
RCFWMIXHVSJFMI-UHFFFAOYSA-N- Molecular formula
- C16H22O6
- Average molar mass
- 310.34 g/mol
- Monoisotopic mass
- 310.14163842
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester
- IUPAC
- 2-(2-ethyl-4,6-dihydroxyhexoxy)carbonylbenzoic acid
Names & synonyms
88144-79-01,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) esterDTXSID1010079632-{[(2-ETHYL-4,6-DIHYDROXYHEXYL)OXY]CARBONYL}BENZOIC ACID
Database identifiers
- CAS
88144-79-0- PubChem CID
- 190090
- DTXSID
DTXSID101007963
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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