Basic information
- CAS
649774-00-5- Standard SMILES
O=C(COc1ccc(CO)cc1)Nc1cccc(C(=O)O)c1- InChIKey
WHSHBZVUCXKBMP-UHFFFAOYSA-N- Molecular formula
- C16H15NO5
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.09502258
Names & identifiers
- Preferred name
- 3-{2-[4-(Hydroxymethyl)phenoxy]acetamido}benzoic acid
- IUPAC
- 3-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]benzoic acid
Names & synonyms
649774-00-53-{2-[4-(Hydroxymethyl)phenoxy]acetamido}benzoic acidSCHEMBL2951443DTXSID30433529DA-03949
Database identifiers
- CAS
649774-00-5- PubChem CID
- 9972070
- DTXSID
DTXSID30433529
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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