tert-Butyl 4-(1-hydroxypropyl)benzoate
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Basic information
- CAS
149324-85-6- Standard SMILES
CCC(O)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
OQQYLOJNHKXRRZ-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- tert-Butyl 4-(1-hydroxypropyl)benzoate
- IUPAC
- tert-butyl 4-(1-hydroxypropyl)benzoate
- English name
- Benzoic acid, 4-(1-hydroxypropyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
149324-85-6tert-Butyl 4-(1-hydroxypropyl)benzoateBenzoic acid, 4-(1-hydroxypropyl)-, 1,1-dimethylethyl ester (9CI)2-Methyl-2-propanyl 4-(1-hydroxypropyl)benzoateSCHEMBL8571706OQQYLOJNHKXRRZ-UHFFFAOYSA-Nt-butyl 4-(1-hydroxypropyl)benzoate4-(t-butoxycarbonyl)phenylpropanolBenzoic acid, 4-(1-hydroxypropyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
149324-85-6- PubChem CID
- 21473763
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 343.1 · 343.1±17.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.20(Predicted)
Related reactions
5 records
Compound notes
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