Ethyl 2-(5-Methyl-3-indolyl)-2-oxoacetate - CAS 1256246-49-7
Catalog: |
BB006148 |
Product Name: |
Ethyl 2-(5-Methyl-3-indolyl)-2-oxoacetate |
CAS: |
1256246-49-7 |
Synonyms: |
2-(5-methyl-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(5-Methyl-3-indolyl)-2-oxoacetate (CAS# 1256246-49-7 ) is a useful research chemical. |
Molecular Weight: | 231.25 |
Molecular Formula: | C13H13NO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C1C=C(C=C2)C |
InChI: | InChI=1S/C13H13NO3/c1-3-17-13(16)12(15)10-7-14-11-5-4-8(2)6-9(10)11/h4-7,14H,3H2,1-2H3 |
InChI Key: | AXDHOUVFLBQVCJ-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2011257137-A1 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20080910 |
US-2012065187-A1 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20080910 |
US-2006166947-A1 | Multiple myeloma treatments | 20041001 |
US-2006160876-A1 | Indole derivatives | 20031002 |
US-2007244180-A1 | Substituted indole derivatives | 20031002 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.08954328 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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