Basic information
- CAS
98589-57-2- Standard SMILES
O=CNC(=O)c1ccccc1C(=O)O- InChIKey
YABNFEADEQQBGD-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- 2-(Formylcarbamoyl)benzoic acid
- IUPAC
- 2-(formylcarbamoyl)benzoic acid
Names & synonyms
2-(formylcarbamoyl)benzoic acid98589-57-2Benzoic acid, 2-[(formylamino)carbonyl]-MLS000027750ChemDiv3_000832Oprea1_775405SCHEMBL13401500DTXSID80349742HMS1475F18HMS2340L22STL328286AKOS001603894
Show more names
IDI1_019798NCGC00019154-01NCGC00019154-02SMR000034151EU-0069661SR-01000001097SR-01000001097-2
Database identifiers
- CAS
98589-57-2- PubChem CID
- 659130
- DTXSID
DTXSID80349742
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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