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4-(Methoxy-d3)benzaldehyde

CAT: 0572-TRC-M334187-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M334187-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
342611-04-5
Synonyms
4-Methoxybenzaldehyde-d3
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])Oc1ccc(C=O)cc1
Molecular Formula
C8 D3 H5 O2
Molecular Weight
139.17
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i1D3
Additionnal Information
IUPAC name: 4-(trideuteriomethoxy)benzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Methoxy-D3-benzaldehyde
CAS Number342611-04-5
PubChem CID57894594
IUPAC Name4-(trideuteriomethoxy)benzaldehyde
Molecular FormulaC8H8O2
Molecular Weight139.17
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
[2H]C([2H])([2H])OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i1D3
InChIKey
ZRSNZINYAWTAHE-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-D3-benzaldehyde
CAS: 342611-04-5
CID: 57894594
Formula: C8H8O2
MW: 139.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.17
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass139.071259732
Monoisotopic Mass139.071259732
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
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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CatalogName
423022-013- (Allyloxy) -4- (methoxy-d3) -benzaldehyde
HY-N0098S1-014-​Hydroxy-​3-​methoxy benzaldehyde-​d3
CS-O-424984-BROMO-3- (METHOXY-D3) -BENZALDEHYDE
CS-O-424703- (METHOXY-D3) BENZALDEHYDE
CS-C-001722-Methoxy-d3-benzaldehyde
CS-O-428785-methoxy-2- (methoxy-d3) -Benzaldehyde
0139684-Hydroxy-3-methoxy-d3-benzaldehyde O-Methyloxime
CS-O-423035-bromo-2- (methoxy-d3) benzaldehyde
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