5-Methylindole-3-acetic Acid - CAS 1912-47-6
Catalog: |
BB014799 |
Product Name: |
5-Methylindole-3-acetic Acid |
CAS: |
1912-47-6 |
Synonyms: |
2-(5-methyl-1H-indol-3-yl)acetic acid; 2-(5-methyl-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(5-methyl-1H-indol-3-yl)acetic acid |
Description: | 5-Methylindole-3-acetic Acid (CAS# 1912-47-6) is a derivative of Indole-3-acetic acid which is a plant growth regulator. It induces cell division and cell elongation that promotes plant growth. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC=C2CC(=O)O |
InChI: | InChI=1S/C11H11NO2/c1-7-2-3-10-9(4-7)8(6-12-10)5-11(13)14/h2-4,6,12H,5H2,1H3,(H,13,14) |
InChI Key: | VYFDKXJAORBSAW-UHFFFAOYSA-N |
Boiling Point: | 420.8 °C at 760 mmHg |
Density: | 1.299 g/cm3 |
MDL: | MFCD00022751 |
LogP: | 2.10340 |
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EP-3636642-A1 | Indoleacetic acid derivative and preparation method and pharmaceutical use thereof | 20170607 |
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PMID | Publication Date | Title | Journal |
19470787 | 20090601 | 3,3'-diindolylmethane induction of p75NTR-dependent cell death via the p38 mitogen-activated protein kinase pathway in prostate cancer cells | Cancer prevention research (Philadelphia, Pa.) |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
12182852 | 20020916 | Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy | Bioorganic & medicinal chemistry letters |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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