Basic information
- Standard SMILES
Cc1cccc(CCC(=O)OC(C)(C)C)c1C=O- InChIKey
FKJTYUKJMHNFJX-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Names & identifiers
- Preferred name
- Tert-butyl 3-(2-formyl-3-methylphenyl)propanoate
- IUPAC
- tert-butyl 3-(2-formyl-3-methylphenyl)propanoate
Names & synonyms
SCHEMBL15609431FKJTYUKJMHNFJX-UHFFFAOYSA-Ntert-butyl 3-(2-formyl-3-methylphenyl)propanoate
Database identifiers
- PubChem CID
- 86713435
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
2 records
Compound notes
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