2,5-Diethoxytoluene - CAS 41901-72-8
Catalog: |
BB024990 |
Product Name: |
2,5-Diethoxytoluene |
CAS: |
41901-72-8 |
Synonyms: |
1,4-diethoxy-2-methylbenzene |
IUPAC Name: | 1,4-diethoxy-2-methylbenzene |
Description: | 2,5-Diethoxytoluene (CAS# 41901-72-8 ) is a useful research chemical. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CCOC1=CC(=C(C=C1)OCC)C |
InChI: | InChI=1S/C11H16O2/c1-4-12-10-6-7-11(13-5-2)9(3)8-10/h6-8H,4-5H2,1-3H3 |
InChI Key: | YIFVHORAWWWSQT-UHFFFAOYSA-N |
Boiling Point: | 247.999 °C at 760 mmHg |
Density: | 0.975 g/mL at 25 °C(lit.) |
MDL: | MFCD05664281 |
LogP: | 2.79240 |
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Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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