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3,4-Dimethoxybenzaldehyde-d6

CAT: 0572-TRC-D462282-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D462282-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1162658-05-0
Synonyms
3,4-Dimethoxybenzenecarbonal-d6; 4-O-Methylvanillin-d6; Methylvanillin-d6; NSC 24521-d6; NSC 8500-d6; Protocatechualdehyde Dimethyl Ether-d6; Protocatechuic Aldehyde Dimethyl Ether-d6; Vanillin Methyl Ether-d6; Veratral-d6; Veratric Aldehyde-d6; Veratrum Aldehyde-d6; Veratryl Aldehyde-d6; USP Verapamil Related Compound E-d6;
Hazard Statement
Harmful if swallowed
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])OC1=C(OC([2H])([2H])[2H])C=C(C=O)C=C1
Molecular Formula
C9H4D6O3
Molecular Weight
172.21
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

3,4-Dimethoxybenzaldehyde-d6
CAS Number1162658-05-0
PubChem CID56933525
IUPAC Name3,4-bis(trideuteriomethoxy)benzaldehyde
Molecular FormulaC9H10O3
Molecular Weight172.21
XLogP1.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
[2H]C([2H])([2H])OC1=C(C=C(C=C1)C=O)OC([2H])([2H])[2H]
InChI
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3/i1D3,2D3
InChIKey
WJUFSDZVCOTFON-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxybenzaldehyde-d6
CAS: 1162658-05-0
CID: 56933525
Formula: C9H10O3
MW: 172.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.21
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass172.100654652
Monoisotopic Mass172.100654652
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
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
427125-013,4-Dimethoxybenzaldehyde-d6
1608203,5-Dimethoxybenzaldehyde-d6
0047284-Bromo-3,5-dimethoxybenzaldehyde-d6
4198142,3-Dimethoxybenzaldehyde-d6
sc-254534A3,4-Dimethoxybenzaldehyde
6040123,4‐DIMETHOXYBENZALDEHYDE
1607713,4-Dimethoxybenzaldehyde-d3
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