Basic information
- Standard SMILES
CC1(c2ccnc(COS(C)(=O)=O)c2)OCCO1- InChIKey
PUXLYDKNAXTGHQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO5S
- Average molar mass
- 273.31 g/mol
Names & identifiers
- Preferred name
- Methanesulfonic acid 4-(2-methyl-[1,3]dioxolan-2-yl)-pyridin-2-ylmethyl ester
- IUPAC
- [4-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl methanesulfonate
Names & synonyms
SCHEMBL1167280PUXLYDKNAXTGHQ-UHFFFAOYSA-Nmethanesulfonic acid 4-(2-methyl-[1,3]dioxolan-2-yl)-pyridin-2-ylmethyl ester
Database identifiers
- PubChem CID
- 86649481
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Related reactions
4 records
Compound notes
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