[4-(Hexan-3-yl)phenoxy]acetic acid
Basic information
- CAS
6925-43-5- Standard SMILES
CCCC(CC)c1ccc(OCC(=O)O)cc1- InChIKey
ZGDMZGUQUHRHCI-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- [4-(Hexan-3-yl)phenoxy]acetic acid
- IUPAC
- 2-(4-hexan-3-ylphenoxy)acetic acid
Names & synonyms
6925-43-5[4-(hexan-3-yl)phenoxy]acetic acidNSC106293DTXSID50295924NSC-106293
Database identifiers
- CAS
6925-43-5- PubChem CID
- 267172
- DTXSID
DTXSID50295924
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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