Methyl 3-Oxo-3-(m-tolyl)propionate - CAS 200404-35-9
Catalog: |
BB015474 |
Product Name: |
Methyl 3-Oxo-3-(m-tolyl)propionate |
CAS: |
200404-35-9 |
Synonyms: |
3-(3-methylphenyl)-3-oxopropanoic acid methyl ester; methyl 3-(3-methylphenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(3-methylphenyl)-3-oxopropanoate |
Description: | Methyl 3-Oxo-3-(m-tolyl)propionate (CAS# 200404-35-9 ) is a useful research chemical. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CC1=CC=CC(=C1)C(=O)CC(=O)OC |
InChI: | InChI=1S/C11H12O3/c1-8-4-3-5-9(6-8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3 |
InChI Key: | OXXOTNVLAORSGM-UHFFFAOYSA-N |
LogP: | 1.74080 |
Publication Number | Title | Priority Date |
WO-2020243457-A1 | Compounds and therapeutic uses thereof | 20190529 |
US-2017253586-A1 | Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II | 20141124 |
US-9771359-B1 | Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II | 20141124 |
WO-2016082930-A1 | Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands ii | 20141124 |
WO-2016082930-A9 | Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands ii | 20141124 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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