Basic information
- Standard SMILES
C/C(=C\c1ccccc1C=O)C(=O)OC(C)(C)C- InChIKey
BHUHFUKJVOWYCQ-PKNBQFBNSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
Names & identifiers
- Preferred name
- (E)-3-(2-Formylphenyl)-2-methyl-2-propenoic acid 1,1-dimethylethyl ester
- IUPAC
- tert-butyl (E)-3-(2-formylphenyl)-2-methylprop-2-enoate
Names & synonyms
SCHEMBL9680999BHUHFUKJVOWYCQ-PKNBQFBNSA-N(E)-3-(2-Formylphenyl)-2-methyl-2-propenoic acid 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 57451285
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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