Basic information
- Standard SMILES
O=C(O)CCc1cnc(-c2cccc(C(=O)O)c2)o1- InChIKey
DMRJEPZSVHXDPH-UHFFFAOYSA-N- Molecular formula
- C13H11NO5
- Average molar mass
- 261.23 g/mol
Names & identifiers
- Preferred name
- 3-[5-(2-Carboxyethyl)-1,3-oxazol-2-yl]benzoic acid
- IUPAC
- 3-[5-(2-carboxyethyl)-1,3-oxazol-2-yl]benzoic acid
Names & synonyms
SCHEMBL3350278DMRJEPZSVHXDPH-UHFFFAOYSA-N3-[5-(2-carboxy,ethyl)-1,3-oxazol-2-yl]benzoic acid3-[5-(2-carboxyethyl)-1,3-oxazol-2-yl]benzoic acid
Database identifiers
- PubChem CID
- 21085690
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
5 records
Compound notes
Loading…