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4-Hydroxybiphenyl-d9 (rings-d9)

CAT: 0572-TRC-P336136-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P336136-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126840-28-6
Synonyms
[1,1'-Biphenyl-2,2',3,3',4',5,5',6,6'-d9]-4-ol (9CI); p-Phenylphenol (ring-D9); 4-Phenylphenol D9; 4-Hydroxy-1',2,2',3,3',4',5,5',6,6'-nonadeuteriobiphenyl; 4-Hydroxybiphenyl-1',2,2',3,3',4',5,5',6,6'-D9; 4-Hydroxybiphenyl (ring-D9)
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c([2H])c([2H])c(O)c([2H])c2[2H]
Molecular Formula
C12 2H9 H O
Molecular Weight
179.26
InChI
InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
Additionnal Information
IUPAC name: 2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenol
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

4-Hydroxybiphenyl-D9 (rings-D9)
CAS Number126840-28-6
PubChem CID10607442
IUPAC Name2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenol
Molecular FormulaC12H10O
Molecular Weight179.26
XLogP3.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity141
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])O)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
YXVFYQXJAXKLAK-LOIXRAQWSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxybiphenyl-D9 (rings-D9)
CAS: 126840-28-6
CID: 10607442
Formula: C12H10O
MW: 179.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.26
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass179.129655652
Monoisotopic Mass179.129655652
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count9
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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