1-Methyl-4-indolecarboxylic Acid - CAS 90924-06-4
Catalog: |
BB039992 |
Product Name: |
1-Methyl-4-indolecarboxylic Acid |
CAS: |
90924-06-4 |
Synonyms: |
1-methyl-4-indolecarboxylic acid; 1-methylindole-4-carboxylic acid |
IUPAC Name: | 1-methylindole-4-carboxylic acid |
Description: | 1-Methyl-4-indolecarboxylic Acid (CAS# 90924-06-4) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CN1C=CC2=C(C=CC=C21)C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6H,1H3,(H,12,13) |
InChI Key: | FUPJJUHCLDXVGX-UHFFFAOYSA-N |
Boiling Point: | 389 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
MDL: | MFCD08435874 |
LogP: | 1.87650 |
Publication Number | Title | Priority Date |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
WO-2020065614-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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