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m-Cresol-d3 (methyl-d3)

CAT: 0572-TRC-M781917-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M781917-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25026-32-8
Synonyms
m-Cresol-d3 (methyl-d3); m-Cres-α,α,α-d3-ol (8CI); 3-(Methyl-d3)phenol; m-Cresol-d3; 1-Hydroxy-3-(methyl-d3)benzene; 3-Cresol-d3; m-Hydroxytoluene-d3; Metacresol-D3 (methyl-D3)
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])c1cccc(O)c1
Molecular Formula
C7 D3 H5 O
Molecular Weight
111.1563
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3
Additionnal Information
IUPAC name: 3-(trideuteriomethyl)phenol
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

3-(2H3)methylphenol
CAS Number25026-32-8
PubChem CID45785211
IUPAC Name3-(trideuteriomethyl)phenol
Molecular FormulaC7H8O
Molecular Weight111.16
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
[2H]C([2H])([2H])C1=CC(=CC=C1)O
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3
InChIKey
RLSSMJSEOOYNOY-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 3-(2H3)methylphenol
CAS: 25026-32-8
CID: 45785211
Formula: C7H8O
MW: 111.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.16
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass111.076345112
Monoisotopic Mass111.076345112
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
Isotope Atom Count3
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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