Basic information
- CAS
59138-64-6- Standard SMILES
CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1- InChIKey
MXRRYJULORAXHI-UHFFFAOYSA-N- Molecular formula
- C26H27NO5
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.18892296
Names & identifiers
- Preferred name
- [4-(4-Hexoxybenzoyl)oxyphenyl] 4-aminobenzoate
- IUPAC
- [4-(4-hexoxybenzoyl)oxyphenyl] 4-aminobenzoate
Names & synonyms
59138-64-6C26H27NO5[4-(4-hexoxybenzoyl)oxyphenyl] 4-aminobenzoateNSC287081DTXSID90314668NSC-2870814-{[4-(Hexyloxy)benzoyl]oxy}phenyl 4-aminobenzoate
Database identifiers
- CAS
59138-64-6- PubChem CID
- 323907
- DTXSID
DTXSID90314668
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 559
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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