Basic information
- CAS
67032-34-2- Standard SMILES
CCCOC(=O)c1ccc(OCC(O)CO)cc1- InChIKey
OWACFNPRIAKXDB-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- Benzoic acid, p-(2,3-dihydroxypropoxy)-, propyl ester
- IUPAC
- propyl 4-(2,3-dihydroxypropoxy)benzoate
- English name
- p-(2,3-Dihydroxypropoxy)benzoic acid propyl ester
- Molecular formula
- C13H18O5
- Molecular weight
- 254.28
Names & synonyms
67032-34-2BENZOIC ACID, p-(2,3-DIHYDROXYPROPOXY)-, PROPYL ESTERRefChem:1079228Propyl p-(2,3-dihydroxypropoxy)benzoatepropyl 4-(2,3-dihydroxypropoxy)benzoateDTXSID70985971p-(2,3-Dihydroxypropoxy)benzoic acid propyl esterBenzoic acid, 4-(2,3-dihydroxypropoxy)-, propyl ester
Database identifiers
- CAS
67032-34-2- PubChem CID
- 49018
- DTXSID
DTXSID70985971- Nikkaji
- J83.351G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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