Salicylic acid, 3,5-dipropyl-, methyl ester
Basic information
- CAS
7192-44-1- Standard SMILES
CCCc1cc(CCC)c(O)c(C(=O)OC)c1- InChIKey
PJHWTOOMSVLOFY-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Salicylic acid, 3,5-dipropyl-, methyl ester
- IUPAC
- methyl 2-hydroxy-3,5-dipropylbenzoate
Names & synonyms
Methyl 2-hydroxy-3,5-dipropylbenzoate3,5-Dipropylsalicylic acid methyl esterSalicylic acid, 3,5-dipropyl-, methyl esterBRN 26160957192-44-1DTXSID40222188RefChem:379786DTXCID40144679
Database identifiers
- CAS
7192-44-1- PubChem CID
- 201965
- DTXSID
DTXSID40222188- Nikkaji
- J93.041E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
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Related reactions
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Compound notes
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