Undecyl 4-hydroxybenzoate
Basic information
- CAS
69679-31-8- Standard SMILES
CCCCCCCCCCCOC(=O)c1ccc(O)cc1- InChIKey
VNHZHSYTJBADIV-UHFFFAOYSA-N- Molecular formula
- C18H28O3
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.20384475
Names & identifiers
- Preferred name
- Undecyl 4-hydroxybenzoate
- IUPAC
- undecyl 4-hydroxybenzoate
Names & synonyms
undecyl 4-hydroxybenzoate69679-31-8DTXSID00316976RefChem:386913DTXCID70268099NSC 309821NSC309821Benzoicacid, 4-hydroxy-, undecyl esterSCHEMBL18187564NSC-309821DS-010481
Database identifiers
- CAS
69679-31-8- PubChem CID
- 328880
- DTXSID
DTXSID00316976- Nikkaji
- J169.217H
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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