Basic information
- CAS
92059-44-4- Standard SMILES
O=C(O)c1ccccc1C(=O)NCc1ccco1- InChIKey
IFCUOJRHUHPNRJ-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- 2-[(Furan-2-ylmethyl)carbamoyl]benzoic acid
- IUPAC
- 2-(furan-2-ylmethylcarbamoyl)benzoic acid
Names & synonyms
92059-44-42-[(furan-2-ylmethyl)carbamoyl]benzoic acid2-(furan-2-ylmethylcarbamoyl)benzoic acidNSC105213NCIOpen2_007307SCHEMBL12172824DTXSID20295734AKOS003579861NSC-105213DS-0103972-{[(Furan-2-yl)methyl]carbamoyl}benzoic acidBenzoic acid,2-[[(2-furanylmethyl)amino]carbonyl]-
Database identifiers
- CAS
92059-44-4- PubChem CID
- 266554
- DTXSID
DTXSID20295734
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…