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2,5-Dimethoxy-4-methylbenzaldehyde

CAT: 0931-TN9658-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9658-01Size:50 mg
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CAS Number
4925-88-6
Target
Others
Related Pathways
Others
Purity
0.9959
Bioactivity
2,5-Dimethoxy-4-methylbenzaldehyde is an aromatic aldehyde widely used in biochemical experiments and drug synthesis research.
Smiles
O=CC1=CC(OC)=C(C=C1OC)C
Molecular Formula
C10H12O3
Molecular Weight
180.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,5-Dimethoxy-4-methylbenzaldehyde
CAS Number4925-88-6
PubChem CID602019
IUPAC Name2,5-dimethoxy-4-methylbenzaldehyde
Molecular FormulaC10H12O3
Molecular Weight180.20
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
CC1=CC(=C(C=C1OC)C=O)OC
InChI
InChI=1S/C10H12O3/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-6H,1-3H3
InChIKey
LRSRTWLEJBIAIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxy-4-methylbenzaldehyde
CAS: 4925-88-6
CID: 602019
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity170
Isotope Atom Count0
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
OR76483-012,4-Dimethoxy-5-methylbenzaldehyde
FD22189-012,5-Dimethoxy-4-methylbenzaldehyde
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BAA01127-013,5-dimethoxy-4-methylbenzaldehyde
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