Basic information
- CAS
61924-45-6- Standard SMILES
CCCCc1ccc(OC(=O)C=Cc2ccc(C#N)cc2)cc1- InChIKey
OYKLNRSYVCUPKA-UHFFFAOYSA-N- Molecular formula
- C20H19NO2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.14157885
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-(4-cyanophenyl)-, 4-butylphenyl ester
- IUPAC
- (4-butylphenyl) 3-(4-cyanophenyl)prop-2-enoate
Names & synonyms
2-Propenoic acid, 3-(4-cyanophenyl)-, 4-butylphenyl esterRefChem:482054p-Butylphenyl p-cyanocinnamate61924-45-6OYKLNRSYVCUPKA-UHFFFAOYSA-N6310-49-2DB-3655073-(4-Cyanophenyl)propenoic acid 4-butylphenyl ester
Database identifiers
- CAS
61924-45-6- PubChem CID
- 112459
- DTXSID
DTXSID7069528
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 3-(4-cyanophenyl)-, 4-butylphenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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