Basic information
- Standard SMILES
COC(=O)Cc1ccc(OS(C)(=O)=O)cc1- InChIKey
PPTCIWWEUPKQIQ-UHFFFAOYSA-N- Molecular formula
- C10H12O5S
- Average molar mass
- 244.27 g/mol
Names & identifiers
- Preferred name
- 4-[(Methoxycarbonyl)methyl]phenyl mesylate
- IUPAC
- methyl 2-(4-methylsulfonyloxyphenyl)acetate
Names & synonyms
4-[(methoxycarbonyl)methyl]phenyl mesylateSCHEMBL980066PPTCIWWEUPKQIQ-UHFFFAOYSA-N539814-10-3DB-294991methyl 2-(4-methylsulfonyloxyphenyl)acetic acid(4-Methanesulfonyloxy-phenyl)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 11615683
- Nikkaji
- J1.966.045A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
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