(2-Phenylethenesulfonyl)acetate
Basic information
- CAS
92207-24-4- Standard SMILES
O=C([O-])CS(=O)(=O)C=Cc1ccccc1- InChIKey
WCOXFTGMNJJABC-UHFFFAOYSA-M- Molecular formula
- C10H9O4S-
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.02215494
Names & identifiers
- Preferred name
- (2-Phenylethenesulfonyl)acetate
- IUPAC
- 2-(2-phenylethenylsulfonyl)acetate
- English name
- CIS-STYRENESULFONYLACETIC ACID
- Molecular formula
- C10H10O4S
- Molecular weight
- 226.25
Names & synonyms
(2-Phenylethenesulfonyl)acetate92207-24-42-(2-phenylethenylsulfonyl)acetateDTXSID90428794(2-Phenylethene-1-sulfonyl)acetateZ-STYRYLSULFONYLACETIC ACIDZ-Styrenesulfonylacetic acidCIS-STYRENESULFONYLACETIC ACIDCIS-STYRENESULPHONYLACETIC ACIDcis-Styrenesulfonylaceticacid,98%
Database identifiers
- CAS
92207-24-4- PubChem CID
- 7566664
- DTXSID
DTXSID90428794
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 325
Physicochemical properties
- Melting point
- 150 · 150-153°C
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501a
Suppliers
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Related reactions
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Compound notes
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