2-(4-Butan-2-ylphenoxy)propanoic acid
Basic information
- CAS
6966-86-5- Standard SMILES
CCC(C)c1ccc(OC(C)C(=O)O)cc1- InChIKey
CGXMDIBLXDQTMH-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 2-(4-Butan-2-ylphenoxy)propanoic acid
- IUPAC
- 2-(4-butan-2-ylphenoxy)propanoic acid
Names & synonyms
2-(4-butan-2-ylphenoxy)propanoic acid6966-86-52-[4-(butan-2-yl)phenoxy]propanoic acidNSC68210DTXSID20290345NSC-68210
Database identifiers
- CAS
6966-86-5- PubChem CID
- 249654
- DTXSID
DTXSID20290345
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 219
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Compound notes
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