4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoic Acid - CAS 54557-81-2
Catalog: |
BB028719 |
Product Name: |
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoic Acid |
CAS: |
54557-81-2 |
Synonyms: |
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid; 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid |
IUPAC Name: | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid |
Description: | 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxobutanoic Acid (CAS# 54557-81-2) is a useful research chemical. |
Molecular Weight: | 236.22 |
Molecular Formula: | C12H12O5 |
Canonical SMILES: | C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O |
InChI: | InChI=1S/C12H12O5/c13-9(2-4-12(14)15)8-1-3-10-11(7-8)17-6-5-16-10/h1,3,7H,2,4-6H2,(H,14,15) |
InChI Key: | LMDXEMFSAHAGGP-UHFFFAOYSA-N |
Boiling Point: | 475.6 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | 1.50530 |
Publication Number | Title | Priority Date |
EP-2656072-A1 | Multi-analyte microarrays using tag-specific antibodies and tag-anchored antibodies | 20101223 |
EP-2656072-B1 | Multi-analyte microarrays using tag-specific antibodies and tag-anchored antibodies | 20101223 |
US-2013310277-A1 | Multi-analyte microarrays using tag-specific antibodies and tag-anchored antibodies | 20101223 |
WO-2012084915-A1 | Multi-analyte microarrays using tag-specific antibodies and tag-anchored antibodies | 20101223 |
AU-2010294214-A1 | Heterocylcic derivatives as inhibitors of glutaminyl cyclase | 20090911 |
PMID | Publication Date | Title | Journal |
17517512 | 20070715 | Synthesis and biological activity of new anti-inflammatory compounds containing the 1,4-benzodioxine and/or pyrrole system | Bioorganic & medicinal chemistry |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.06847348 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.06847348 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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