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4-Hydroxyanisole-d4

CAT: 0572-TRC-H750017-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H750017-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159839-23-3
Synonyms
Phen-2,3,5,6-d4-ol, 4-methoxy- (9CI); 4-Methoxyphen-2,3,5,6-d4-ol; 4-Methoxyphenol-2,3,5,6-d4; Mequinol-d4; 4-Hydroxyanisole-2,3,5,6-d4; 4-Methoxyphenol-2,3,5,6-D4
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c(OC)c([2H])c([2H])c1O
Molecular Formula
C7 D4 H4 O2
Molecular Weight
128.1619
InChI
InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3/i2D,3D,4D,5D
Additionnal Information
IUPAC name: 2,3,5,6-tetradeuterio-4-methoxyphenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methoxyphenol-2,3,5,6-D4
CAS Number159839-23-3
PubChem CID88337666
IUPAC Name2,3,5,6-tetradeuterio-4-methoxyphenol
Molecular FormulaC7H8O2
Molecular Weight128.16
XLogP1.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
[2H]C1=C(C(=C(C(=C1O)[2H])[2H])OC)[2H]
InChI
InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3/i2D,3D,4D,5D
InChIKey
NWVVVBRKAWDGAB-QFFDRWTDSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxyphenol-2,3,5,6-D4
CAS: 159839-23-3
CID: 88337666
Formula: C7H8O2
MW: 128.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass128.077536477
Monoisotopic Mass128.077536477
Topological Polar Surface Area29.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity75
Isotope Atom Count4
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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