Basic information
- Standard SMILES
Cc1ncccc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1- InChIKey
WHHWCCNXCHLQEH-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2-Methyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[3-(2-methyl-3-pyridinyl)phenyl]-3-oxopropanoate
Names & synonyms
SCHEMBL5562365WHHWCCNXCHLQEH-UHFFFAOYSA-N3-[3-(2-Methyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69489232
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
14 records
Compound notes
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