Basic information
- CAS
61924-46-7- Standard SMILES
CCCCCc1ccc(OC(=O)C=Cc2ccc(C#N)cc2)cc1- InChIKey
ZPALCVHFGUSKFL-UHFFFAOYSA-N- Molecular formula
- C21H21NO2
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.15722891
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester
- IUPAC
- (4-pentylphenyl) 3-(4-cyanophenyl)prop-2-enoate
Names & synonyms
2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl esterRefChem:482055p-Pentylphenyl p-cyanocinnamate61924-46-7ZPALCVHFGUSKFL-UHFFFAOYSA-NDB-3655083-(4-Cyanophenyl)propenoic acid 4-pentylphenyl ester
Database identifiers
- CAS
61924-46-7- PubChem CID
- 112460
- DTXSID
DTXSID2069529
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 3-(4-cyanophenyl)-, 4-pentylphenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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