2-Meo phenyl 4-aminosalicylate
Basic information
- CAS
56356-17-3- Standard SMILES
COc1ccccc1OC(=O)c1ccc(N)cc1O- InChIKey
CEQCXZGPSOJQNA-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- 2-Meo phenyl 4-aminosalicylate
- IUPAC
- (2-methoxyphenyl) 4-amino-2-hydroxybenzoate
Names & synonyms
DTXSID508774862-MEO PHENYL 4-AMINOSALICYLATE56356-17-3RefChem:262385DTXCID6010155634-Aminosalicylic acid 2-methoxyphenyl esterGuaiacol-PAS2-methoxyphenyl 4-amino-2-hydroxybenzoate(2-methoxyphenyl) 4-amino-2-hydroxy-benzoate
Database identifiers
- CAS
56356-17-3- PubChem CID
- 488118
- DTXSID
DTXSID50877486- Nikkaji
- J1.576.365E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
LogP2.88
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…