4-Formyl-2-pentyl-benzoic acid methyl ester
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Basic information
- Standard SMILES
CCCCCc1cc(C=O)ccc1C(=O)OC- InChIKey
DSXKFVAZLNEDTI-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
Names & identifiers
- Preferred name
- 4-Formyl-2-pentyl-benzoic acid methyl ester
- IUPAC
- methyl 4-formyl-2-pentylbenzoate
Names & synonyms
SCHEMBL2772829DSXKFVAZLNEDTI-UHFFFAOYSA-N4-Formyl-2-pentyl-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 57443333
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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