Basic information
- Standard SMILES
Cc1ccc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cn1- InChIKey
VNHPYPILBWQVTL-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(6-Methyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[3-(6-methyl-3-pyridinyl)phenyl]-3-oxopropanoate
Names & synonyms
SCHEMBL5562745VNHPYPILBWQVTL-UHFFFAOYSA-NDB-388325tert-butyl 3-(3-(6-methylpyridin-3-yl)phenyl)-3-oxopropanoate3-[3-(6-Methyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester579474-74-1
Database identifiers
- PubChem CID
- 69489386
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
21 records
Compound notes
Loading…