Basic information
- CAS
78333-30-9- Standard SMILES
CCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCC)cc3)c(C#N)c2C#N)cc1- InChIKey
ONKYEBRAGMKALP-UHFFFAOYSA-N- Molecular formula
- C28H24N2O4
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.17360725
Names & identifiers
- Preferred name
- b3BzodCP
- IUPAC
- [2,3-dicyano-4-(4-propylbenzoyl)oxyphenyl] 4-propylbenzoate
Names & synonyms
b3BzodCP78333-30-9DTXSID4013538504-Propylbenzoic acid 2,3-dicyano-1,4-phenylene ester2,3aDicyanoa4a(4apropylbenzoyloxy)phenyl 4apropylbenzoate
Database identifiers
- CAS
78333-30-9- PubChem CID
- 175667778
- DTXSID
DTXSID401353850
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 711
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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