4-(3,4-Dichlorophenoxy)butanoic acid
Basic information
- CAS
3307-37-7- Standard SMILES
O=C(O)CCCOc1ccc(Cl)c(Cl)c1- InChIKey
AKDSUKZFDDKNNM-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O3
- Average molar mass
- 249.09 g/mol
- Monoisotopic mass
- 248.0006996
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenoxy)butanoic acid
- IUPAC
- 4-(3,4-dichlorophenoxy)butanoic acid
- English name
- 3-Hydroxybutano-4-lactone
- Molecular formula
- C10H10Cl2O3
- Molecular weight
- 249.09
Names & synonyms
4-(3,4-Dichlorophenoxy)butanoic acid3307-37-73,4-DB4-(3,4-dichlorophenoxy)butyric acidButanoic acid, 4-(3,4-dichlorophenoxy)-9PJ5QFU3YM3-Hydroxybutano-4-lactoneSCHEMBL116455SCHEMBL29700092DTXSID90186721MFCD09712842Butyric acid, 4-(3,4-dichlorophenoxy)
Show more names
4-(3,4-DB)4-Hydroxyoxolane-2-one4-Hydroxytetrahydrofuran-2-one3,4-Dihydroxybutyric acid γ-lactone4-Hydroxy-4,5-dihydrofuran-2(3H)-one
Butanoic acid, 4-(3,4-dichlorophenoxy)
Database identifiers
- CAS
3307-37-7- PubChem CID
- 145688
- DTXSID
DTXSID90186721- UNII
- 9PJ5QFU3YM
- Nikkaji
- J7.715A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 108 · 108-110 °C
- Boiling point
- 415.6 · 415.6±35.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.10(Predicted)
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