Basic information
- Standard SMILES
Cn1cc(COS(C)(=O)=O)cn1- InChIKey
OXFUTDJGQYNMRS-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3S
- Average molar mass
- 190.22 g/mol
Names & identifiers
- Preferred name
- methanesulfonic acid 1-methyl-1H-pyrazol-4-ylmethyl ester
- IUPAC
- (1-methylpyrazol-4-yl)methyl methanesulfonate
Names & synonyms
SCHEMBL14738317OXFUTDJGQYNMRS-UHFFFAOYSA-NAKOS026735632DB-103288methanesulfonic acid 1-methyl-1H-pyrazol-4-ylmethyl ester1426423-87-1
Database identifiers
- PubChem CID
- 86677974
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 234
Related reactions
2 records
Compound notes
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