3-(Propan-2-yloxycarbonylamino)benzoic acid
Basic information
- CAS
14357-53-0- Standard SMILES
CC(C)OC(=O)Nc1cccc(C(=O)O)c1- InChIKey
YQZCBYMQSLHUAG-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 3-(Propan-2-yloxycarbonylamino)benzoic acid
- IUPAC
- 3-(propan-2-yloxycarbonylamino)benzoic acid
Names & synonyms
14357-53-03-(propan-2-yloxycarbonylamino)benzoic acidNSC29465Benzoic acid,3-[[(1-methylethoxy)carbonyl]amino]-DTXSID80283051NSC-29465AKOS011070693DS-0104253-({[(Propan-2-yl)oxy]carbonyl}amino)benzoic acid
Database identifiers
- CAS
14357-53-0- PubChem CID
- 232202
- DTXSID
DTXSID80283051
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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