5-Ethoxyindole-3-carbaldehyde - CAS 169789-47-3
Catalog: |
BB012579 |
Product Name: |
5-Ethoxyindole-3-carbaldehyde |
CAS: |
169789-47-3 |
Synonyms: |
5-ethoxy-1H-indole-3-carboxaldehyde; 5-ethoxy-1H-indole-3-carbaldehyde |
IUPAC Name: | 5-ethoxy-1H-indole-3-carbaldehyde |
Description: | 5-Ethoxyindole-3-carbaldehyde (CAS# 169789-47-3) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CCOC1=CC2=C(C=C1)NC=C2C=O |
InChI: | InChI=1S/C11H11NO2/c1-2-14-9-3-4-11-10(5-9)8(7-13)6-12-11/h3-7,12H,2H2,1H3 |
InChI Key: | MSEZSIQZGXBEDM-UHFFFAOYSA-N |
Boiling Point: | 381.8 °C at 760 mmHg |
Density: | 1.228 g/cm3 |
MDL: | MFCD07364715 |
LogP: | 2.37910 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
MX-2008016388-A | [D] PIRIDAZIN-7-FUSIONED WAVES. | 20060622 |
EP-1943245-A2 | 1,3-disubstituted indole derivatives for use as ppar modulators | 20050907 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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