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Basic information
- Standard SMILES
CCc1ccc(C(=O)CCC(=O)O)cc1CC- InChIKey
ZNRPDNOKZMLIEY-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 3-(3',4'-Diethylbenzoyl) propanoic acid
- IUPAC
- 4-(3,4-diethylphenyl)-4-oxobutanoic acid
Names & synonyms
ZNRPDNOKZMLIEY-UHFFFAOYSA-N3-(3',4'-Diethylbenzoyl) propanoic acid
Database identifiers
- PubChem CID
- 12366397
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
2 records
Compound notes
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