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Levothyroxine Impurity 27

CAT: 1299-RM-L202427-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L202427-02Size:25 mg
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CAS Number
2278-95-7
Synonyms
(E) -3- (4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl) acrylic acid
Molecular Formula
C15H8I4O4
Molecular Weight
759.84
Target Alternative Name
Levothyroxine
Product Name Synonym
(E) -3- (4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl) acrylic acid

Chemical Information

(E)-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)acrylic acid
CAS Number2278-95-7
PubChem CID177833702
IUPAC Name(E)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]prop-2-enoic acid
Molecular FormulaC15H8I4O4
Molecular Weight759.84
XLogP5.6
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity423
SMILES
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)/C=C/C(=O)O
InChI
InChI=1S/C15H8I4O4/c16-9-5-8(6-10(17)14(9)22)23-15-11(18)3-7(4-12(15)19)1-2-13(20)21/h1-6,22H,(H,20,21)/b2-1+
InChIKey
DHFSBAKYWOQDML-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)acrylic acid
CAS: 2278-95-7
CID: 177833702
Formula: C15H8I4O4
MW: 759.84
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight759.84
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass759.6601
Monoisotopic Mass759.6601
Topological Polar Surface Area66.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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