Methyl (E)-3-(3,4-Dimethoxyphenyl)acrylate - CAS 5396-64-5
Catalog: |
BB028421 |
Product Name: |
Methyl (E)-3-(3,4-Dimethoxyphenyl)acrylate |
CAS: |
5396-64-5 |
Synonyms: |
(E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid methyl ester; methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate |
IUPAC Name: | methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate |
Description: | Methyl (E)-3-(3,4-Dimethoxyphenyl)acrylate (CAS# 5396-64-5) is a compound useful in organic synthesis. |
Molecular Weight: | 222.24 |
Molecular Formula: | C12H14O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=CC(=O)OC)OC |
InChI: | InChI=1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5+ |
InChI Key: | JXRYDOZRPYFBKO-FNORWQNLSA-N |
LogP: | 1.89000 |
Publication Number | Title | Priority Date |
CN-110742077-A | Application of cinnamate compound in preventing and treating crop fungal diseases | 20191111 |
CN-110742077-B | Application of cinnamate compound in preventing and treating crop fungal diseases | 20191111 |
US-2021137110-A1 | Use of cinnamate compounds in the control of fungal diseases of crops | 20191111 |
EP-3508855-A1 | Method for the selection of patients and kit | 20180105 |
US-2019212326-A1 | Method for the Selection of Patients and Kit | 20180105 |
PMID | Publication Date | Title | Journal |
22978215 | 20120801 | Quinolizidine alkaloids from Sophora velutina subsp. zimbabweensis (Fabaceae: Sophoreae) | Natural product communications |
11354370 | 20010507 | Syntheses of certain 3-aryl-2-propenoates and evaluation of their cytotoxicity | Bioorganic & medicinal chemistry letters |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 222.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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