4-n-Butyl-2-methoxybenzoic acid methyl ester
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Basic information
- Standard SMILES
CCCCc1ccc(C(=O)OC)c(OC)c1- InChIKey
ZTRAWVLJIVDTPS-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
Names & identifiers
- Preferred name
- 4-n-Butyl-2-methoxybenzoic acid methyl ester
- IUPAC
- methyl 4-butyl-2-methoxybenzoate
Names & synonyms
SCHEMBL7801348ZTRAWVLJIVDTPS-UHFFFAOYSA-N4-n-butyl-2-methoxybenzoic acid methyl ester
Database identifiers
- PubChem CID
- 54565710
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
2 records
Compound notes
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