Basic information
- CAS
32885-13-5- Standard SMILES
C=CC(=O)NC(CS(=O)(=O)O)c1ccccc1- InChIKey
CGRRTNMGLUWMLJ-UHFFFAOYSA-N- Molecular formula
- C11H13NO4S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.05652907
Names & identifiers
- Preferred name
- 2-(Acryloylamino)-2-phenylethanesulfonic acid
- IUPAC
- 2-phenyl-2-(prop-2-enoylamino)ethanesulfonic acid
Names & synonyms
2-(acryloylamino)-2-phenylethanesulfonic acidSCHEMBL5858432DTXSID301200278STK537150AKOS0054678632-acrylamido-2-phenylethanesulfonic acid32885-13-52-Phenyl-2-[(prop-2-enoyl)amino]ethane-1-sulfonic acidI(2)-[(1-Oxo-2-propen-1-yl)amino]benzeneethanesulfonic acid
Database identifiers
- CAS
32885-13-5- PubChem CID
- 5166459
- DTXSID
DTXSID301200278- Nikkaji
- J755.580F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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