Methyl 5-Methoxy-2-methylindole-3-acetate - CAS 7588-36-5
Catalog: |
BB046660 |
Product Name: |
Methyl 5-Methoxy-2-methylindole-3-acetate |
CAS: |
7588-36-5 |
Synonyms: |
Methyl 5-methoxy-2-methyl-1H-indole-3-acetate; 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, methyl ester; 5-Methoxy-2-methyl-1H-indole-3-acetic Acid Methyl Ester |
Application: |
Intermediate in the preparation of Indomethacin |
IUPAC Name: | methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate |
Description: | Intermediate in the preparation of Indomethacin. |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)OC |
InChI: | InChI=1S/C13H15NO3/c1-8-10(7-13(15)17-3)11-6-9(16-2)4-5-12(11)14-8/h4-6,14H,7H2,1-3H3 |
InChI Key: | JYUNCKSXPPDNRM-UHFFFAOYSA-N |
Boiling Point: | 391.1±37.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
Solubility: | Soluble in Chloroform, Ethyl Acetate, Methanol |
Appearance: | Beige solid |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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