Methyl 3-acetoxy-2-methylenebutyrate - CAS 22787-68-4
Catalog: |
BB017744 |
Product Name: |
Methyl 3-acetoxy-2-methylenebutyrate |
CAS: |
22787-68-4 |
Synonyms: |
methyl 3-acetyloxy-2-methylidenebutanoate |
IUPAC Name: | methyl 3-acetyloxy-2-methylidenebutanoate |
Description: | Methyl 3-acetoxy-2-methylenebutyrate (CAS# 22787-68-4 ) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C8H12O4 |
Canonical SMILES: | CC(C(=C)C(=O)OC)OC(=O)C |
InChI: | InChI=1S/C8H12O4/c1-5(8(10)11-4)6(2)12-7(3)9/h6H,1H2,2-4H3 |
InChI Key: | RECQPQVWZPJQJO-UHFFFAOYSA-N |
Boiling Point: | 65-69 ℃ / 1 mmHg (lit.) |
Density: | 1.069 g/mL at 25 ℃(lit.) |
MDL: | MFCD00192272 |
LogP: | 0.66720 |
Publication Number | Title | Priority Date |
AU-2006326616-A1 | Polycyclic indazole derivatives that are ERK inhibitors | 20051213 |
AU-2006326616-B2 | Polycyclic indazole derivatives that are ERK inhibitors | 20051213 |
CA-2633023-A1 | Polycyclic indazole derivatives that are erk inhibitors | 20051213 |
EP-1966151-A1 | Polycyclic indazole derivatives that are erk inhibitors | 20051213 |
EP-1966151-B1 | Polycyclic indazole derivatives that are erk inhibitors | 20051213 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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