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2- (2-chlorophenoxy) propanoic acid

CAT: 0024-sc-282473Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-282473Size:100 mg
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CAS Number
25140-86-7

Chemical Information

Propanoic acid, 2-(2-chlorophenoxy)-
CAS Number25140-86-7
PubChem CID72862
IUPAC Name2-(2-chlorophenoxy)propanoic acid
Molecular FormulaC9H9ClO3
Molecular Weight200.62
XLogP2.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CC(C(=O)O)OC1=CC=CC=C1Cl
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)
InChIKey
ZGWNXHRVUJVMCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanoic acid, 2-(2-chlorophenoxy)-
CAS: 25140-86-7
CID: 72862
Formula: C9H9ClO3
MW: 200.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.62
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass200.0240218
Monoisotopic Mass200.0240218
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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

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