Acetamide, N-(3-(sulfooxy)phenyl)-
Basic information
- CAS
52175-03-8- Standard SMILES
CC(=O)Nc1cccc(OS(=O)(=O)O)c1- InChIKey
MFHWPGOFQLPEHH-UHFFFAOYSA-N- Molecular formula
- C8H9NO5S
- Average molar mass
- 231.23 g/mol
- Monoisotopic mass
- 231.02014356
Names & identifiers
- Preferred name
- Acetamide, N-(3-(sulfooxy)phenyl)-
- IUPAC
- (3-acetamidophenyl) hydrogen sulfate
Names & synonyms
Acetamide, N-(3-(sulfooxy)phenyl)-52175-03-8N-(3-(Sulfooxy)phenyl)acetamideDTXSID002002053-Acetamidophenyl hydrogen sulfate
Database identifiers
- CAS
52175-03-8- PubChem CID
- 3045391
- DTXSID
DTXSID00200205
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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