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2- (3,4-dichlorophenoxy) propanoic acid

CAT: 0024-sc-339709ASize: 1 gDry Ice: NoHazardous: No
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CAS Number
3307-41-3

Chemical Information

2-(3,4-Dichlorophenoxy)propanoic acid
CAS Number3307-41-3
PubChem CID18704
IUPAC Name2-(3,4-dichlorophenoxy)propanoic acid
Molecular FormulaC9H8Cl2O3
Molecular Weight235.06
XLogP3.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity210
SMILES
CC(C(=O)O)OC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,13)
InChIKey
BIPAGODSEBNAJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichlorophenoxy)propanoic acid
CAS: 3307-41-3
CID: 18704
Formula: C9H8Cl2O3
MW: 235.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.06
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.9850495
Monoisotopic Mass233.9850495
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes