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Phenoxy-d5-acetic Acid

CAT: 0572-TRC-P318102-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P318102-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154492-74-7
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(OCC(=O)O)c([2H])c1[2H]
Molecular Formula
C8 2H5 H3 O3
Molecular Weight
157.18
InChI
InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/i1D,2D,3D,4D,5D
Additionnal Information
IUPAC name: 2-(2,3,4,5,6-pentadeuteriophenoxy)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phenoxy-d5-acetic Acid
CAS Number154492-74-7
PubChem CID18667270
IUPAC Name2-(2,3,4,5,6-pentadeuteriophenoxy)acetic acid
Molecular FormulaC8H8O3
Molecular Weight157.18
XLogP1.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity127
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OCC(=O)O)[2H])[2H]
InChI
InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/i1D,2D,3D,4D,5D
InChIKey
LCPDWSOZIOUXRV-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of Phenoxy-d5-acetic Acid
CAS: 154492-74-7
CID: 18667270
Formula: C8H8O3
MW: 157.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.18
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass157.078727843
Monoisotopic Mass157.078727843
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity127
Isotope Atom Count5
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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Alternative Products

CatalogName
MBS6065643-01Phenoxy-d5-acetic Acid
sc-219593Phenoxy-d5-acetic Acid Ethyl Ester
sc-4989942- (2-Ethoxy-d5-phenoxy) -acetic acid
116490 500Phenoxy Acetic Acid for Synthesis
sc-277365(4-Ethoxy-phenoxy) -acetic acid
BAA87862-01(2-Acetyl-phenoxy) -acetic acid
sc-266600(3-Chloro-phenoxy) -acetic acid
sc-276236(3-Ethyl-phenoxy) -acetic acid
sc-274337(2-Benzyl-phenoxy) -acetic acid
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