| CAS Number | 217448-96-9 |
| Catalog Number | AG00I482(AGN-PC-0WRA6H) |
| Chemical Name | 4-Ethoxy-3,5-dimethylphenol |
| IUPAC Name | 4-ethoxy-3,5-dimethylphenol |
| InChI | InChI=1S/C10H14O2/c1-4-12-10-7(2)5-9(11)6-8(10)3/h5-6,11H,4H2,1-3H3 |
| InChI Key | WHXFHNGZZKZOKV-UHFFFAOYSA-N |
| MDL Number | MFCD24726029 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | c1(c(c(cc(c1)O)C)OCC)C |
| Synonyms | 4-ethoxy-3,5-dimethylphenol,
217448-96-9,
3,5-Dimethyl-4-ethoxyphenol,
SCHEMBL9804714,
MFCD24726029,
ZINC59904049,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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