Basic information
- Standard SMILES
C=CC(=O)OCCCCOc1ccc(C(=O)Oc2cccc(C#N)c2)cc1- InChIKey
KNKQDEHFKRXABB-UHFFFAOYSA-N- Molecular formula
- C21H19NO5
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.12632271
Names & identifiers
- Preferred name
- AcrBuOBzo-CB
- IUPAC
- (3-cyanophenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate
Names & synonyms
AcrBuOBzo-CBDTXSID4013775233-cyanophenyl 4-{4-[(prop-2-enoyl)oxy]butoxy}benzoate
Database identifiers
- PubChem CID
- 175685318
- DTXSID
DTXSID401377523
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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