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2- (4-Hydroxy-3-iodophenyl) acetic acid

CAT: 0127-OR1055894Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1055894Size:100 mg
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CAS Number
19039-15-7
Purity
97%
Smiles
O=C(O)CC1=CC=C(O)C(I)=C1

Chemical Information

2-(4-Hydroxy-3-iodophenyl)acetic acid
CAS Number19039-15-7
PubChem CID21835053
IUPAC Name2-(4-hydroxy-3-iodophenyl)acetic acid
Molecular FormulaC8H7IO3
Molecular Weight278.04
XLogP1.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
C1=CC(=C(C=C1CC(=O)O)I)O
InChI
InChI=1S/C8H7IO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey
KIPADRQQDNIBER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Hydroxy-3-iodophenyl)acetic acid
CAS: 19039-15-7
CID: 21835053
Formula: C8H7IO3
MW: 278.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.04
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass277.94399
Monoisotopic Mass277.94399
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
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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FH70051-012- (4-Hydroxy-3-iodophenyl) acetic acid
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