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4-Ethoxy-3-methoxytoluene

CAT: 0926-FE67179-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FE67179-01Size:10 g
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CAS Number
33963-27-8
MDL Number
MFCD00210457
Smiles
CCOC1=C (C=C (C=C1) C) OC
Molecular Formula
C10H14O2
Molecular Weight
166.22 g/mol
Controlled
No

Chemical Information

1-Ethoxy-2-methoxy-4-methylbenzene
CAS Number33963-27-8
PubChem CID586716
IUPAC Name1-ethoxy-2-methoxy-4-methylbenzene
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity125
SMILES
CCOC1=C(C=C(C=C1)C)OC
InChI
InChI=1S/C10H14O2/c1-4-12-9-6-5-8(2)7-10(9)11-3/h5-7H,4H2,1-3H3
InChIKey
QOFRRWWZQIIACS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethoxy-2-methoxy-4-methylbenzene
CAS: 33963-27-8
CID: 586716
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity125
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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