7-Methylindole-3-carboxylic Acid - CAS 30448-16-9
Catalog: |
BB020597 |
Product Name: |
7-Methylindole-3-carboxylic Acid |
CAS: |
30448-16-9 |
Synonyms: |
7-methyl-1H-indole-3-carboxylic acid; 7-methyl-1H-indole-3-carboxylic acid |
IUPAC Name: | 7-methyl-1H-indole-3-carboxylic acid |
Description: | 7-Methylindole-3-carboxylic Acid (CAS# 30448-16-9) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=CC=CC2=C1NC=C2C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-6-3-2-4-7-8(10(12)13)5-11-9(6)7/h2-5,11H,1H3,(H,12,13) |
InChI Key: | SRYCADDCUWPWAE-UHFFFAOYSA-N |
Boiling Point: | 413.3 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
MDL: | MFCD06203634 |
LogP: | 2.17450 |
Publication Number | Title | Priority Date |
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 |
FR-2955324-A1 | DISUBSTITUTED 4- (5-AMINOMETHYL-PHENYL) -PIPERIDIN-1-YL] -1H-INDOL-3-YL] -METHANONES | 20100115 |
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: | 2.4 |
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