Methyl 3-(2-Methoxyphenyl)-3-oxopropionate - CAS 54177-02-5
Catalog: |
BB028545 |
Product Name: |
Methyl 3-(2-Methoxyphenyl)-3-oxopropionate |
CAS: |
54177-02-5 |
Synonyms: |
3-(2-methoxyphenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2-methoxyphenyl)-3-oxopropanoate |
IUPAC Name: | methyl 3-(2-methoxyphenyl)-3-oxopropanoate |
Description: | Methyl 3-(2-Methoxyphenyl)-3-oxopropionate (CAS# 54177-02-5) is a reactant that has been used in the synthesis of indanonecarboxylates in a catalytic Nazarov reaction. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | COC1=CC=CC=C1C(=O)CC(=O)OC |
InChI: | InChI=1S/C11H12O4/c1-14-10-6-4-3-5-8(10)9(12)7-11(13)15-2/h3-6H,7H2,1-2H3 |
InChI Key: | OEIWRCBBMGTEMA-UHFFFAOYSA-N |
Boiling Point: | 291.7 °C at 760 mmHg |
Density: | 1.147 g/cm3 |
MDL: | MFCD03424780 |
LogP: | 1.44100 |
Publication Number | Title | Priority Date |
RU-2686489-C1 | Method of producing α-diazocarbonyl compounds in aqueous medium | 20181227 |
US-2012277224-A1 | Heterocyclic compounds for the inhibition of pask | 20110426 |
WO-2012149157-A2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-10953012-B2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-2012065063-A1 | 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides | 20100622 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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