Basic information
- Standard SMILES
COc1ccc(COC(C)=O)nc1- InChIKey
MBCWGLWTUUITAZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
Names & identifiers
- Preferred name
- 2-Acetoxymethyl-5-methoxypyridine
- IUPAC
- (5-methoxy-2-pyridinyl)methyl acetate
Names & synonyms
2-acetoxymethyl-5-methoxypyridine75342-32-4SCHEMBL1059319MBCWGLWTUUITAZ-UHFFFAOYSA-NDB-121950Acetic acid 5-methoxy-pyridin-2-ylmethyl ester
Database identifiers
- PubChem CID
- 14517152
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
4 records
Compound notes
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