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4-Hydroxy-3,5-dimethoxybenzaldehyde-D6

CAT: 0572-TRC-H951380-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H951380-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1268594-30-4
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])Oc1cc(C=O)cc(OC([2H])([2H])[2H])c1O
Molecular Formula
C9 D6 H4 O4
Molecular Weight
188.21
InChI
InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3/i1D3,2D3
Additionnal Information
IUPAC name: 4-hydroxy-3,5-bis(trideuteriomethoxy)benzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxy-3,5-dimethoxybenzaldehyde-D6
CAS Number1268594-30-4
PubChem CID169442106
IUPAC Name4-hydroxy-3,5-bis(trideuteriomethoxy)benzaldehyde
Molecular FormulaC9H10O4
Molecular Weight188.21
XLogP0
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
[2H]C([2H])([2H])OC1=CC(=CC(=C1O)OC([2H])([2H])[2H])C=O
InChI
InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3/i1D3,2D3
InChIKey
KCDXJAYRVLXPFO-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3,5-dimethoxybenzaldehyde-D6
CAS: 1268594-30-4
CID: 169442106
Formula: C9H10O4
MW: 188.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.21
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass188.09556927
Monoisotopic Mass188.09556927
Topological Polar Surface Area55.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
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
1608203,5-Dimethoxybenzaldehyde-d6
427125-013,4-Dimethoxybenzaldehyde-d6
FH11488-014-Hydroxy-3,5-dimethoxybenzaldehyde
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0047284-Bromo-3,5-dimethoxybenzaldehyde-d6
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