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2944-49-2 | Benzene, 1-methoxy-2,3-dimethyl-
CAS No: 2944-49-2 Catalog No: AG002YDY MDL No:MFCD00008376
Product Description
Catalog Number:
AG002YDY
Chemical Name:
Benzene, 1-methoxy-2,3-dimethyl-
CAS Number:
2944-49-2
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00008376
IUPAC Name:
1-methoxy-2,3-dimethylbenzene
InChI:
InChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3
InChI Key:
BLMBNEVGYRXFNA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C)C
EC Number:
220-948-0
NSC Number:
137144
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Simple and effective synthesis of methoxy-dimethylbenzene from electrochemical oxidation of p-xylene in methanol solvent catalyzed by SO(4)(2-)/ZrO(2)-M(x)O(y). | Journal of hazardous materials 20090315 |
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