7-Methylindole-3-acetic Acid - CAS 5435-36-9
Catalog: |
BB028612 |
Product Name: |
7-Methylindole-3-acetic Acid |
CAS: |
5435-36-9 |
Synonyms: |
2-(7-methyl-1H-indol-3-yl)acetic acid; 2-(7-methyl-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(7-methyl-1H-indol-3-yl)acetic acid |
Description: | 7-Methylindole-3-acetic Acid (CAS# 5435-36-9) is a useful reagent for the preparation of indole-acetamide derivatives for treating mitochondrial dysfunction. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC=CC2=C1NC=C2CC(=O)O |
InChI: | InChI=1S/C11H11NO2/c1-7-3-2-4-9-8(5-10(13)14)6-12-11(7)9/h2-4,6,12H,5H2,1H3,(H,13,14) |
InChI Key: | LNBQFYNLWIFQGI-UHFFFAOYSA-N |
Boiling Point: | 413.8 °C at 760 mmHg |
Density: | 1.299 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00047183 |
LogP: | 2.10340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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 |
US-11008360-B2 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
EP-1291341-A1 | Compounds exhibiting thrombopoietin-like activities | 20000530 |
JP-3966816-B2 | Compound having thrombopoietin-like activity | 20000530 |
PMID | Publication Date | Title | Journal |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
Complexity: | 229 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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