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Mesitaldehyde

CAT: 0931-T37981-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T37981-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
487-68-3
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9812
Bioactivity
Mesitaldehyde is an endogenous metabolite widely used in biochemical experiments and drug synthesis research.
Smiles
O=CC=1C(=CC(=CC1C)C)C
Molecular Formula
C10H12O
Molecular Weight
148.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,4,6-Trimethylbenzaldehyde

2,4,6-Trimethylbenzaldehyde is a carbonyl compound.

CAS Number487-68-3
PubChem CID10254
IUPAC Name2,4,6-trimethylbenzaldehyde
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP2.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
CC1=CC(=C(C(=C1)C)C=O)C
InChI
InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
InChIKey
HIKRJHFHGKZKRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trimethylbenzaldehyde
CAS: 487-68-3
CID: 10254
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
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

Alternative Products

CatalogName
HY-W017469-01Mesitaldehyde
HY-W017469R-01Mesitaldehyde (Standard)
FM25113-01Mesitaldehyde - 97%
M04860-01Mesitaldehyde 83% In Acetone

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