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2,5-Dimethoxy-4-methylbenzaldehyde-d6

CAT: 0804-HY-W703574-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W703574-01Size:10 mg
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Description
2,5-Dimethoxy-4-methylbenzaldehyde-d6 is the deuterium labeled 2,5-Dimethoxy-4-methylbenzaldehyde.
CAS Number
58262-07-0
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C([2H])(OC1=CC(C)=C(OC([2H])([2H])[2H])C=C1C=O)[2H]
Molecular Formula
C10H6D6O3
Molecular Weight
186.24
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2,5-Dimethoxy-d6-4-methyl-benzaldehyde
CAS Number58262-07-0
PubChem CID23635473
IUPAC Name4-methyl-2,5-bis(trideuteriomethoxy)benzaldehyde
Molecular FormulaC10H12O3
Molecular Weight186.24
XLogP1.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity170
SMILES
[2H]C([2H])([2H])OC1=CC(=C(C=C1C)OC([2H])([2H])[2H])C=O
InChI
InChI=1S/C10H12O3/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-6H,1-3H3/i2D3,3D3
InChIKey
LRSRTWLEJBIAIT-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxy-d6-4-methyl-benzaldehyde
CAS: 58262-07-0
CID: 23635473
Formula: C10H12O3
MW: 186.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.24
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass186.116304716
Monoisotopic Mass186.116304716
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity170
Isotope Atom Count6
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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CatalogName
TN9658-012,5-Dimethoxy-4-methylbenzaldehyde
OR76483-012,4-Dimethoxy-5-methylbenzaldehyde
HAA72162-014,5-Dimethoxy-2-methylbenzaldehyde
BAA01127-013,5-dimethoxy-4-methylbenzaldehyde
FAA701862,3-Dimethoxy-5-methylbenzaldehyde
FD70948-012,6-Dimethoxy-4-methylbenzaldehyde
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