tert-Butyl 3-hydroxy-3-phenylpropanoate
Basic information
- CAS
5397-27-3- Standard SMILES
CC(C)(C)OC(=O)CC(O)c1ccccc1- InChIKey
VROUOYSBYGPRJC-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- tert-Butyl 3-hydroxy-3-phenylpropanoate
- IUPAC
- tert-butyl 3-hydroxy-3-phenylpropanoate
Names & synonyms
tert-Butyl 3-hydroxy-3-phenylpropanoate5397-27-3DTXSID40277012RefChem:383401DTXCID102281721,1-DIMETHYLETHYL BETA-HYDROXYBENZENEPROPANOATE1,1-Dimethylethyl ?-hydroxybenZenepropanoateNSC358Tert-butyl 3-hydroxy-3-phenylpropionateSCHEMBL5654433NSC-358MFCD35181358
Show more names
tert-Butyl 3-hydroxy-3-phenylpropanoate #1,1-Dimethylethyl |A-hydroxybenzenepropanoateH72213Propanoic acid, 3-hydroxy-3-phenyl-, t-butyl ester3-HYDROXY-3-PHENYLPROPANOIC ACID, TERT-BUTYL ESTER
Database identifiers
- CAS
5397-27-3- PubChem CID
- 219282
- DTXSID
DTXSID40277012- Nikkaji
- J831.538H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Related reactions
2 records
Compound notes
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