Ethyl 7-Methylindole-3-acetate - CAS 91957-22-1
Catalog: |
BB040394 |
Product Name: |
Ethyl 7-Methylindole-3-acetate |
CAS: |
91957-22-1 |
Synonyms: |
2-(7-methyl-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(7-methyl-1H-indol-3-yl)acetate |
IUPAC Name: | ethyl 2-(7-methyl-1H-indol-3-yl)acetate |
Description: | Ethyl 7-Methylindole-3-acetate (CAS# 91957-22-1 ) is a useful research chemical. |
Molecular Weight: | 217.26 |
Molecular Formula: | C13H15NO2 |
Canonical SMILES: | CCOC(=O)CC1=CNC2=C1C=CC=C2C |
InChI: | InChI=1S/C13H15NO2/c1-3-16-12(15)7-10-8-14-13-9(2)5-4-6-11(10)13/h4-6,8,14H,3,7H2,1-2H3 |
InChI Key: | UMMBTZNNCROMJN-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3636642-A1 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
US-2020095271-A1 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
WO-2018223819-A1 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
JP-2020522579-A | Indole acetic acid derivative, its production method and pharmaceutical use | 20170607 |
US-11008360-B2 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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