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Permethrin Impurity 11

CAT: 1299-RM-P681811-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P681811-03Size:50 mg
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CAS Number
2243-42-7
Synonyms
2-phenoxybenzoic acid
Molecular Formula
C13H10O3
Molecular Weight
214.22
Target Alternative Name
Permethrin
Product Name Synonym
2-phenoxybenzoic acid

Chemical Information

2-Phenoxybenzoic acid

2-phenoxybenzoic acid is a phenoxybenzoic acid in which the phenoxy group is ortho to the carboxy group.

CAS Number2243-42-7
PubChem CID75237
IUPAC Name2-phenoxybenzoic acid
Molecular FormulaC13H10O3
Molecular Weight214.22
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity233
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenoxybenzoic acid
CAS: 2243-42-7
CID: 75237
Formula: C13H10O3
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass214.062994177
Monoisotopic Mass214.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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