Basic information
- Standard SMILES
Cn1cccc1CCOS(C)(=O)=O- InChIKey
WONSJAXDSXWBPZ-UHFFFAOYSA-N- Molecular formula
- C8H13NO3S
- Average molar mass
- 203.26 g/mol
Names & identifiers
- Preferred name
- 1-methyl-1H-pyrrole-2-ethanol methanesulfonate
- IUPAC
- 2-(1-methylpyrrol-2-yl)ethyl methanesulfonate
Names & synonyms
SCHEMBL6995136WONSJAXDSXWBPZ-UHFFFAOYSA-N1-methyl-1H-pyrrole-2-ethanol methanesulfonate
Database identifiers
- PubChem CID
- 21746958
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
1 records
Compound notes
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