Ethyl 3,4,5-trimethoxybenzoylacetate - CAS 3044-56-2
Catalog: |
BB020595 |
Product Name: |
Ethyl 3,4,5-trimethoxybenzoylacetate |
CAS: |
3044-56-2 |
Synonyms: |
ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate |
IUPAC Name: | ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate |
Description: | Ethyl 3,4,5-trimethoxybenzoylacetate (CAS# 3044-56-2) is a useful research chemical. |
Molecular Weight: | 282.29 |
Molecular Formula: | C14H18O6 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
InChI: | InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3 |
InChI Key: | VEYNISLTHXQSGU-UHFFFAOYSA-N |
Boiling Point: | 374.9 °C at 760 mmHg |
Density: | 1.147 g/cm3 |
Appearance: | White cyrstalline |
MDL: | MFCD00026908 |
LogP: | 1.84830 |
Publication Number | Title | Priority Date |
EP-3664822-A1 | Inhibitors of microbially induced amyloid | 20170804 |
WO-2019028456-A1 | INHIBITORS OF MICROBIAL INDUCED AMYLOID FORMATION | 20170804 |
JP-2020529432-A | Microbial-induced amyloid inhibitors | 20170804 |
US-2020290970-A1 | Inhibitors of microbially induced amyloid | 20170804 |
KR-101525019-B1 | Novel compound capable of activating Nrf2, and pharmaceutical compositions comprising the same | 20121019 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.11033829 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.11033829 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 71.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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