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Vanillin-d3

CAT: 0931-TMIH-0593-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0593-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74495-74-2
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Vanillin-d3 (4-Hydroxy-3-methoxybenzaldehyde-d3) is the deuterium marker for vanillin and can be used for isotopic tracing. Vanillin (Zimco) is a natural product extracted from vanilla beans and is commonly used in perfumes, food and pharmaceuticals.
Smiles
O(C([2H])([2H])[2H])C1=CC(C=O)=CC=C1O
Molecular Formula
C8H8O3
Molecular Weight
155.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Hydroxy-3-methoxybenzaldehyde-d3

See also: Vanillin (annotation moved to).

CAS Number74495-74-2
PubChem CID10749408
IUPAC Name4-hydroxy-3-(trideuteriomethoxy)benzaldehyde
Molecular FormulaC8H8O3
Molecular Weight155.17
XLogP1.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity135
SMILES
[2H]C([2H])([2H])OC1=C(C=CC(=C1)C=O)O
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i1D3
InChIKey
MWOOGOJBHIARFG-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-methoxybenzaldehyde-d3
CAS: 74495-74-2
CID: 10749408
Formula: C8H8O3
MW: 155.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.17
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass155.066174351
Monoisotopic Mass155.066174351
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity135
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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Alternative Products

CatalogName
RM-E221402-01Vanillin-D3
AR-V06387-01Vanillin-d3 (methoxy-d3)
HY-N0098SVanillin-13C, d3
TRC-V097402-100MG2-Vanillin-d3
TRC-V097504-50MGVanillin-13C,d3
AR-V06382-01Vanillin (o-methoxy-13C-d3)
sc-473812Vanillin-d3 4-O-β-D-Glucoside
B3679-200Vanillin

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