Methyl phenylmethanesulfonate
Basic information
- CAS
5877-96-3- Standard SMILES
COS(=O)(=O)Cc1ccccc1- InChIKey
MNRGFUBMMILKAL-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506535
Names & identifiers
- Preferred name
- Methyl phenylmethanesulfonate
- IUPAC
- methyl phenylmethanesulfonate
Names & synonyms
methyl phenylmethanesulfonate5877-96-3DTXSID00323004RefChem:356836DTXCID00274123methoxysulfonylmethylbenzeneSCHEMBL260820SAR107375E Impurity 7SCHEMBL4594148SCHEMBL7803522NSC402722AKOS015891374
Show more names
NSC-402722
Database identifiers
- CAS
5877-96-3- PubChem CID
- 345253
- DTXSID
DTXSID00323004
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
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Related reactions
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Compound notes
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