Basic information
- Standard SMILES
COC(=O)c1cccc(-c2cc(C)nc(COC(C)=O)c2)c1- InChIKey
KYFWIAFEEMFUHM-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
Names & identifiers
- Preferred name
- 3-(2-Acetoxymethyl-6-methyl-pyridin-4-yl)-benzoic acid methyl ester
- IUPAC
- methyl 3-[2-(acetyloxymethyl)-6-methyl-4-pyridinyl]benzoate
Names & synonyms
SCHEMBL5564045KYFWIAFEEMFUHM-UHFFFAOYSA-N3-(2-acetoxymethyl-6-methyl-pyridin-4-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69489871
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
1 records
Compound notes
Loading…