Ethyl 7-Methylindole-3-carboxylate - CAS 773128-82-8
Catalog: |
BB035882 |
Product Name: |
Ethyl 7-Methylindole-3-carboxylate |
CAS: |
773128-82-8 |
Synonyms: |
7-methyl-1H-indole-3-carboxylic acid ethyl ester; ethyl 7-methyl-1H-indole-3-carboxylate |
IUPAC Name: | ethyl 7-methyl-1H-indole-3-carboxylate |
Description: | Ethyl 7-Methylindole-3-carboxylate (CAS# 773128-82-8 ) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C1C=CC=C2C |
InChI: | InChI=1S/C12H13NO2/c1-3-15-12(14)10-7-13-11-8(2)5-4-6-9(10)11/h4-7,13H,3H2,1-2H3 |
InChI Key: | BIOFSBISOZTVAU-UHFFFAOYSA-N |
Boiling Point: | 350.9 ℃ at 760 mmHg |
Density: | 1.177 g/cm3 |
LogP: | 2.65300 |
Publication Number | Title | Priority Date |
EP-2398760-A1 | Allosteric binding compounds | 20090220 |
WO-2010094289-A1 | Allosteric binding compounds | 20090220 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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