Methyl 3-(4-methoxyphenyl)propionate - CAS 15823-04-8
Catalog: |
BB011398 |
Product Name: |
Methyl 3-(4-methoxyphenyl)propionate |
CAS: |
15823-04-8 |
Synonyms: |
methyl 3-(4-methoxyphenyl)propanoate |
Application: |
Methyl 3-(4-methoxyphenyl)propanoate (cas# 15823-04-8) is a useful research chemical. |
IUPAC Name: | methyl 3-(4-methoxyphenyl)propanoate |
Description: | Methyl 3-(4-methoxyphenyl)propanoate isolated from the herbs of Piper nigrum. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | COC1=CC=C(C=C1)CCC(=O)OC |
InChI: | InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3 |
InChI Key: | AKQLYAFBUYHFCK-UHFFFAOYSA-N |
Boiling Point: | 120 °C |
Purity: | > 98 % |
Density: | 1.062 g/cm3 |
Appearance: | Oil |
MDL: | MFCD01923356 |
LogP: | 1.80080 |
Quality Standard: | Enterprise Standard |
Publication Number | Title | Priority Date |
CN-112390830-A | Iridium catalyst for catalyzing rearrangement of propargyl ester to prepare substituted ketone compound | 20201117 |
CN-111792990-A | Unsaturated ketone compound, preparation method and application thereof | 20190409 |
US-2017291905-A1 | Arginine methyltransferase inhibitors and uses thereof | 20140917 |
WO-2016044626-A1 | Arginine methyltransferase inhibitors and uses thereof | 20140917 |
AU-2014243069-A1 | Biaryl-propionic acid derivatives and their use as pharmaceuticals | 20130328 |
PMID | Publication Date | Title | Journal |
21581361 | 20081120 | Methyl 3-(4-methoxy-benzo-yl)propionate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 171 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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