Butyl 4-formylbenzoate
Basic information
- CAS
70986-34-4- Standard SMILES
CCCCOC(=O)c1ccc(C=O)cc1- InChIKey
MZHJNYFOGXDJOU-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Butyl 4-formylbenzoate
- IUPAC
- butyl 4-formylbenzoate
Names & synonyms
BUTYL 4-FORMYLBENZOATE70986-34-4SCHEMBL9099224SCHEMBL90992394-Formylbenzoic acid butyl esterDTXSID70601649MFCD00453996HS-3870
Database identifiers
- CAS
70986-34-4- PubChem CID
- 19980992
- DTXSID
DTXSID70601649
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
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Related reactions
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Compound notes
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