3-(2,4-Dimethoxyphenyl)propionic acid - CAS 22174-29-4
Catalog: |
BB017438 |
Product Name: |
3-(2,4-Dimethoxyphenyl)propionic acid |
CAS: |
22174-29-4 |
Synonyms: |
3-(2,4-dimethoxyphenyl)propanoic acid |
IUPAC Name: | 3-(2,4-dimethoxyphenyl)propanoic acid |
Description: | 3-(2,4-Dimethoxyphenyl)propionic Acid acts as a synthetic reagent in the preparation of acylaminopyridinylimidazoles as p38 MAP kinase inhibitors. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | COC1=CC(=C(C=C1)CCC(=O)O)OC |
InChI: | InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13) |
InChI Key: | NVDCWSFMCUWKAL-UHFFFAOYSA-N |
Boiling Point: | 351.9 °C at 760 mmHg |
Density: | 1.159 g/cm3 |
Appearance: | White to pale yellow powder |
MDL: | MFCD00598205 |
LogP: | 1.72100 |
Publication Number | Title | Priority Date |
US-2019271015-A1 | Enzymatic synthesis of kavalactones and flavokavains | 20180117 |
US-10941429-B2 | Enzymatic synthesis of kavalactones and flavokavains | 20180117 |
US-2020149034-A1 | Methods and Compositions for Synthesis of Encoded Libraries | 20170317 |
WO-2012168458-A1 | Zwitterionic compounds useful as catalysts for esterification reactions and processes for their production | 20110610 |
TW-200930717-A | Organic compounds | 20071210 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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