Acetic acid, 2-((3-sulfooxybenzoyl)amino)-
Basic information
- CAS
86321-31-5- Standard SMILES
O=C(O)CNC(=O)c1cccc(OS(=O)(=O)O)c1- InChIKey
SBLCKJXUMHOIBU-UHFFFAOYSA-N- Molecular formula
- C9H9NO7S
- Average molar mass
- 275.24 g/mol
- Monoisotopic mass
- 275.0099728
Names & identifiers
- Preferred name
- Acetic acid, 2-((3-sulfooxybenzoyl)amino)-
- IUPAC
- 2-[(3-sulfooxybenzoyl)amino]acetic acid
Names & synonyms
2-((3-Sulfooxybenzoyl)amino)acetic acid86321-31-5Acetic acid, 2-((3-sulfooxybenzoyl)amino)-RefChem:316406DTXSID601006708N-{Hydroxy[3-(sulfooxy)phenyl]methylidene}glycine
Database identifiers
- CAS
86321-31-5- PubChem CID
- 186339
- DTXSID
DTXSID601006708
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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