Basic information
- CAS
6316-62-7- Standard SMILES
CCCCCCCCCc1ccc(OC(=O)c2ccccc2)cc1- InChIKey
UHNDOFZFNNZFIW-UHFFFAOYSA-N- Molecular formula
- C22H28O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.20893013
Names & identifiers
- Preferred name
- 4-Nonylphenyl benzoate
- IUPAC
- (4-nonylphenyl) benzoate
Names & synonyms
4-nonylphenyl benzoate6316-62-7DTXSID10281702RefChem:295144DTXCID70232856(4-nonylphenyl)benzoateNSC22570p-nonylphenyl benzoateSCHEMBL11579348NSC-22570
Database identifiers
- CAS
6316-62-7- PubChem CID
- 229145
- DTXSID
DTXSID10281702- Nikkaji
- J3.386.428K
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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