Ethyl 3-(3,5-Dimethylphenyl)-3-oxopropanoate - CAS 871129-46-3
Catalog: |
BB038270 |
Product Name: |
Ethyl 3-(3,5-Dimethylphenyl)-3-oxopropanoate |
CAS: |
871129-46-3 |
Synonyms: |
3-(3,5-dimethylphenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(3,5-dimethylphenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(3,5-dimethylphenyl)-3-oxopropanoate |
Description: | Ethyl 3-(3,5-Dimethylphenyl)-3-oxopropanoate (CAS# 871129-46-3 ) is a useful research chemical. |
Molecular Weight: | 220.26 |
Molecular Formula: | C13H16O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=CC(=C1)C)C |
InChI: | InChI=1S/C13H16O3/c1-4-16-13(15)8-12(14)11-6-9(2)5-10(3)7-11/h5-7H,4,8H2,1-3H3 |
InChI Key: | PRURSOXTMNELQI-UHFFFAOYSA-N |
LogP: | 2.43930 |
Publication Number | Title | Priority Date |
CN-113292603-A | Metal complex, organic electroluminescent device and application thereof | 20210520 |
AU-2008337097-A1 | Aminotriazole derivatives as ALX agonists | 20071218 |
AU-2008337097-B2 | Aminotriazole derivatives as ALX agonists | 20071218 |
CA-2706839-A1 | Aminotriazole derivatives as alx agonists | 20071218 |
CA-2706839-C | Aminotriazole derivatives as alx agonists | 20071218 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.109944368 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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