64715-85-1 Purity
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Specification
The molecular formula of 2,6-Diethoxytoluene is C11H16O2.
The molecular weight of 2,6-Diethoxytoluene is 180.24 g/mol.
The IUPAC name of 2,6-Diethoxytoluene is 1,3-diethoxy-2-methylbenzene.
The InChI of 2,6-Diethoxytoluene is InChI=1S/C11H16O2/c1-4-12-10-7-6-8-11(9(10)3)13-5-2/h6-8H,4-5H2,1-3H3.
The InChIKey of 2,6-Diethoxytoluene is ZJCYULYFGMNBIQ-UHFFFAOYSA-N.
The canonical SMILES of 2,6-Diethoxytoluene is CCOC1=C(C(=CC=C1)OCC)C.
The CAS number of 2,6-Diethoxytoluene is 6972-63-0.
The European Community (EC) number of 2,6-Diethoxytoluene is 622-346-7.
The DSSTox Substance ID of 2,6-Diethoxytoluene is DTXSID80289598.
The molecular weight of 2,6-Diethoxytoluene is 180.24 g/mol.
The XLogP3 value of 2,6-Diethoxytoluene is 3.6.
The hydrogen bond donor count of 2,6-Diethoxytoluene is 0.
The hydrogen bond acceptor count of 2,6-Diethoxytoluene is 2.
The rotatable bond count of 2,6-Diethoxytoluene is 4.
The topological polar surface area of 2,6-Diethoxytoluene is 18.5Ų.