4-Methylindole-3-carboxylic Acid - CAS 858515-65-8
Catalog: |
BB037739 |
Product Name: |
4-Methylindole-3-carboxylic Acid |
CAS: |
858515-65-8 |
Synonyms: |
4-methyl-1H-indole-3-carboxylic acid; 4-methyl-1H-indole-3-carboxylic acid |
IUPAC Name: | 4-methyl-1H-indole-3-carboxylic acid |
Description: | 4-Methylindole-3-carboxylic Acid (CAS# 858515-65-8 ) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=C2C(=CC=C1)NC=C2C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-6-3-2-4-8-9(6)7(5-11-8)10(12)13/h2-5,11H,1H3,(H,12,13) |
InChI Key: | ADKWDRQMDHFTJP-UHFFFAOYSA-N |
Boiling Point: | 419.9 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
LogP: | 2.17450 |
Publication Number | Title | Priority Date |
WO-2017120532-A1 | Polymorphs of a phosphate salt of quinuclidin-4-ylmethyl 4-methyl-1h-indole-3-carboxylate and uses thereof | 20160108 |
US-2016009706-A1 | Quinuclidines for modulating alpha 7 activity | 20140711 |
US-2017166561-A1 | Quinuclidine compounds for modulating alpha7-nicotinic acetylcholine receptor activity | 20140711 |
US-9434724-B2 | Quinuclidines for modulating alpha 7 activity | 20140711 |
WO-2016007630-A1 | Quinuclidine compounds for modulating alpha7 -nicotinic acetylcholine receptor activity | 20140711 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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