Basic information
- CAS
49599-18-0- Standard SMILES
CCOC(=O)NC(=O)c1ccccc1C(=O)O- InChIKey
AUPUJGDNLAOXST-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- 2-[(Ethoxycarbonyl)carbamoyl]benzoic acid
- IUPAC
- 2-(ethoxycarbonylcarbamoyl)benzoic acid
Names & synonyms
49599-18-0SCHEMBL9074709SCHEMBL9074711DTXSID50494930ethyl N-(o-carboxybenzoyl)carbamate2-[(Ethoxycarbonyl)carbamoyl]benzoic acid
Database identifiers
- CAS
49599-18-0- PubChem CID
- 12372897
- DTXSID
DTXSID50494930
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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