2-(5-Methoxy-3-indolyl)-2-oxoacetic Acid - CAS 14827-68-0
Catalog: |
BB010286 |
Product Name: |
2-(5-Methoxy-3-indolyl)-2-oxoacetic Acid |
CAS: |
14827-68-0 |
Synonyms: |
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetic acid; 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetic acid |
IUPAC Name: | 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetic acid |
Description: | 2-(5-Methoxy-3-indolyl)-2-oxoacetic Acid (CAS# 14827-68-0 ) is a useful research chemical. |
Molecular Weight: | 219.19 |
Molecular Formula: | C11H9NO4 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)O |
InChI: | InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)8(5-12-9)10(13)11(14)15/h2-5,12H,1H3,(H,14,15) |
InChI Key: | LLZACTPLAJXJNU-UHFFFAOYSA-N |
LogP: | 1.44380 |
Publication Number | Title | Priority Date |
AU-2009265292-A1 | Calcium ion channel modulators and uses thereof | 20080703 |
CA-2729688-A1 | Calcium ion channel modulators & uses thereof | 20080703 |
EP-2303840-A2 | Calcium ion channel modulators&uses thereof | 20080703 |
JP-2011526618-A | Calcium ion channel modulator and use thereof | 20080703 |
MX-2010014455-A | MODULATORS OF CALCIUM ION CHANNELS & ITS USES. | 20080703 |
PMID | Publication Date | Title | Journal |
21035332 | 20101201 | Synthetic analogs of indole-containing natural products as inhibitors of sortase A and isocitrate lyase | Bioorganic & medicinal chemistry letters |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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