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1,2,4-Trimethoxybenzene

CAT: 0931-TN9271-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9271-01Size:50 mg
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CAS Number
135-77-3
Target
Others
Related Pathways
Others
Purity
0.9931
Bioactivity
1,2,4-Trimethoxybenzene is a benzene derivative widely used in biochemical experiments and drug synthesis research.
Smiles
O(C1=CC=C(OC)C(OC)=C1)C
Molecular Formula
C9H12O3
Molecular Weight
168.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,2,4-Trimethoxybenzene

1,2,4-Trimethoxybenzene is a member of methoxybenzenes.

CAS Number135-77-3
PubChem CID67284
IUPAC Name1,2,4-trimethoxybenzene
Molecular FormulaC9H12O3
Molecular Weight168.19
XLogP2.1
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity127
SMILES
COC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChIKey
AGIQIOSHSMJYJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Trimethoxybenzene
CAS: 135-77-3
CID: 67284
Formula: C9H12O3
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.078644241
Monoisotopic Mass168.078644241
Topological Polar Surface Area27.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity127
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
HY-W0170871,2,4-Trimethoxybenzene
FN70072-011-Nitro-2,4,6-trimethoxybenzene
sc-2586861-Bromo-2,4,6-trimethoxybenzene
OR89949-011-Bromo-2,3,4-trimethoxybenzene
KJB51443-012,3,4-Trimethoxybenzene-1-sulfonamide
TDC65996-012,4,6-Trimethoxybenzene-1-sulfonamide
PC1024571-011-Fluoro-2,4,5-trimethoxybenzene
OR1099499-012-Iodo-1,3,4-trimethoxybenzene
OR1080585-011- (Chloromethyl) -2,3,4-trimethoxybenzene
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