5-Methylindole-3-carboxylic Acid - CAS 10242-02-1
Catalog: |
BB000853 |
Product Name: |
5-Methylindole-3-carboxylic Acid |
CAS: |
10242-02-1 |
Synonyms: |
5-methyl-1H-indole-3-carboxylic acid; 5-methyl-1H-indole-3-carboxylic acid |
IUPAC Name: | 5-methyl-1H-indole-3-carboxylic acid |
Description: | 5-Methylindole-3-carboxylic Acid (CAS# 10242-02-1) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)NC=C2C(=O)O |
InChI: | InChI=1S/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13) |
InChI Key: | TZNAHYKFVSHGDA-UHFFFAOYSA-N |
Boiling Point: | 421.2 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD06203285 |
LogP: | 2.17450 |
Publication Number | Title | Priority Date |
CN-113004187-A | Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application | 20210316 |
CN-110668992-A | IDO/HDAC double-target compound and synthetic method and application thereof | 20180702 |
US-2021179604-A1 | Indole Compounds and Their Use | 20171120 |
US-2016009706-A1 | Quinuclidines for modulating alpha 7 activity | 20140711 |
US-2017166561-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: | 2.4 |
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