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2,6-Dimethoxytoluene

CAT: 0572-TRC-D471462-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D471462-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5673-07-4
Synonyms
1,3-Dimethoxy-2-methylbenzene; 2,6-Dimethoxytoluene; 2-Methyl-1,3-dimethoxybenzene; 2-Methylresorcinol Dimethyl Ether; NSC 62674; 1,3-Dimethoxy-2-methylbenzene;
Hazard Statement
No Data Available
Smiles
COc1cccc(OC)c1C
Molecular Formula
C9H12O2
Molecular Weight
152.19
Shipping Conditions
Room Temperature

Chemical Information

2,6-Dimethoxytoluene
CAS Number5673-07-4
PubChem CID79755
IUPAC Name1,3-dimethoxy-2-methylbenzene
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP2.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
CC1=C(C=CC=C1OC)OC
InChI
InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3
InChIKey
FPEUDBGJAVKAEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethoxytoluene
CAS: 5673-07-4
CID: 79755
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
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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