3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid - CAS 134098-68-3
Catalog: |
BB007875 |
Product Name: |
3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid |
CAS: |
134098-68-3 |
Synonyms: |
3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid |
IUPAC Name: | 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid |
Description: | 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid (CAS# 134098-68-3 ) is a useful research chemical. |
Molecular Weight: | 264.32 |
Molecular Formula: | C15H20O4 |
Canonical SMILES: | CC1=CC(=C(C(=C1)OC(=O)C)C(C)(C)CC(=O)O)C |
InChI: | InChI=1S/C15H20O4/c1-9-6-10(2)14(12(7-9)19-11(3)16)15(4,5)8-13(17)18/h6-7H,8H2,1-5H3,(H,17,18) |
InChI Key: | IRUYOPOSEOEWIN-UHFFFAOYSA-N |
Appearance: | White to yellow and faint beige to beige and faint brown to brown powder or crystals |
LogP: | 2.98100 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021188959-A1 | Prodrugs of 4'-c-substituted-2-halo-2'-deoxyadenosine nucleosides and methods of making and using the same | 20200320 |
TW-202102233-A | Compounds useful in hiv therapy | 20190306 |
WO-2020178767-A1 | Compounds useful in hiv therapy | 20190306 |
WO-2020031131-A1 | Compounds useful in hiv therapy | 20180809 |
TW-202023650-A | Compounds useful in hiv therapy | 20180809 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.13615911 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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