Basic information
- CAS
41313-58-0- Standard SMILES
Cc1ccc(OC(=O)c2ccc(N)cc2)cc1- InChIKey
UPBCLNPLUXJWCC-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-, 4-methylphenyl ester
- IUPAC
- (4-methylphenyl) 4-aminobenzoate
Names & synonyms
Benzoic acid, 4-amino-, 4-methylphenyl ester41313-58-0SCHEMBL19962996DTXSID804818934-METHYLPHENYL 4-AMINOBENZOATE
Database identifiers
- CAS
41313-58-0- PubChem CID
- 12238917
- DTXSID
DTXSID80481893
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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