Basic information
- Standard SMILES
NC(=O)c1ccccc1C(=O)[O-]- InChIKey
CYMRPDYINXWJFU-UHFFFAOYSA-M- Molecular formula
- C8H6NO3-
- Average molar mass
- 164.14 g/mol
Names & identifiers
- Preferred name
- 2-Carbamoylbenzoate
- IUPAC
- 2-carbamoylbenzoate
Database identifiers
- PubChem CID
- 3373391
- Nikkaji
- J2.904.667K
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 197
Related reactions
2 records
Compound notes
Loading…