1-(2,6-Dihydroxy-3,4,5-trimethylphenyl)ethanone - CAS 66842-24-8
Catalog: |
BB062970 |
Product Name: |
1-(2,6-Dihydroxy-3,4,5-trimethylphenyl)ethanone |
CAS: |
66842-24-8 |
Synonyms: |
1-(2,6-Dihydroxy-3,4,5-trimethylphenyl)ethan-1-one; 1-(2,6-dihydroxy-3,4,5-trimethyl-phenyl)-ethanone; 1-(2,6-dihydroxy-3,4,5-trimethylphenyl)ethanone |
IUPAC Name: | 1-(2,6-dihydroxy-3,4,5-trimethylphenyl)ethanone |
Description: | 1-(2,6-Dihydroxy-3,4,5-trimethylphenyl)ethanone is a reactant used in the preparation of resorcinol. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CC1=C(C(=C(C(=C1C)O)C(=O)C)O)C |
InChI: | InChI=1S/C11H14O3/c1-5-6(2)10(13)9(8(4)12)11(14)7(5)3/h13-14H,1-4H3 |
InChI Key: | MAKBJQYMAQEWDJ-UHFFFAOYSA-N |
References: | Cohen, N. et al. J. Org. Chem., 43, 3723 (1978). |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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