Basic information
- CAS
59138-61-3- Standard SMILES
Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccccc3)cc2)cc1- InChIKey
DDOMCSHYIHJPCL-UHFFFAOYSA-N- Molecular formula
- C20H15NO4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.10010796
Names & identifiers
- Preferred name
- (4-Benzoyloxyphenyl) 4-aminobenzoate
- IUPAC
- (4-benzoyloxyphenyl) 4-aminobenzoate
Names & synonyms
59138-61-3(4-benzoyloxyphenyl) 4-aminobenzoateNSC287080DTXSID303146674-(Benzoyloxy)phenyl 4-aminobenzoateNSC-287080
Database identifiers
- CAS
59138-61-3- PubChem CID
- 323906
- DTXSID
DTXSID30314667
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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