4-Cyanophenyl octanoate
Basic information
- CAS
93777-17-4- Standard SMILES
CCCCCCCC(=O)Oc1ccc(C#N)cc1- InChIKey
XRSCWCVKLXEFJB-UHFFFAOYSA-N- Molecular formula
- C15H19NO2
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.14157885
Names & identifiers
- Preferred name
- 4-Cyanophenyl octanoate
- IUPAC
- (4-cyanophenyl) octanoate
- English name
- 4-cyanophenyl octanoate
- Molecular formula
- C15H19NO2
- Molecular weight
- 245.31686
Names & synonyms
4-Cyanophenyl octanoate93777-17-4EINECS 298-046-1Octanoic acid, 4-cyanophenyl esterSCHEMBL27269166DTXSID30239609NS00039598Octanoic acid 4-cyanophenyl ester
Database identifiers
- CAS
93777-17-4- PubChem CID
- 523083
- DTXSID
DTXSID30239609- EC Number
- 298-046-1
- Nikkaji
- J348.668K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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