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3,4,5-Trimethoxytoluene

CAT: 0572-TRC-T796245-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796245-10GSize:10 g
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CAS Number
6443-69-2
Synonyms
1,2,3-Trimethoxy-5-methylbenzene; 1-Methyl-3,4,5-trimethoxybenzene; 2,6-Dimethoxy-4-methylanisole; 3,4,5-Trimethoxy-1-methylbenzene; 3,4,5-Trimethoxytoluene; 5-Methyl-1,2,3-trimethoxybenzene; 5-Methylpyrogallol Trimethyl Ether
Hazard Statement
No Data Available
Smiles
CC1=CC(OC)=C(OC)C(OC)=C1
Molecular Formula
C10H14O3
Molecular Weight
182.22
InChI
InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
Additionnal Information
IUPAC name: 1,2,3-trimethoxy-5-methylbenzene
Shipping Conditions
Room Temperature

Chemical Information

3,4,5-Trimethoxytoluene

3,4,5-Trimethoxytoluene is a member of methoxybenzenes.

CAS Number6443-69-2
PubChem CID80922
IUPAC Name1,2,3-trimethoxy-5-methylbenzene
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP1.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity135
SMILES
CC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
InChIKey
KCIZTNZGSBSSRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxytoluene
CAS: 6443-69-2
CID: 80922
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area27.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity135
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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