4-Methoxyindole-3-carboxylic Acid - CAS 203937-50-2
Catalog: |
BB015884 |
Product Name: |
4-Methoxyindole-3-carboxylic Acid |
CAS: |
203937-50-2 |
Synonyms: |
4-methoxy-1H-indole-3-carboxylic acid; 4-methoxy-1H-indole-3-carboxylic acid |
IUPAC Name: | 4-methoxy-1H-indole-3-carboxylic acid |
Description: | 4-Methoxyindole-3-carboxylic Acid (CAS# 203937-50-2) is a useful research chemical. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | COC1=CC=CC2=C1C(=CN2)C(=O)O |
InChI: | InChI=1S/C10H9NO3/c1-14-8-4-2-3-7-9(8)6(5-11-7)10(12)13/h2-5,11H,1H3,(H,12,13) |
InChI Key: | CWWWWJZMLMUDIM-UHFFFAOYSA-N |
Boiling Point: | 447.6 °C at 760 mmHg |
Density: | 1.381 g/cm3 |
MDL: | MFCD05664011 |
LogP: | 1.87470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018009539-A1 | Inhibitors of hexokinase and methods of use thereof | 20160705 |
EP-3166940-A1 | Quinuclidine compounds for modulating alpha7 -nicotinic acetylcholine receptor activity | 20140711 |
JP-2017524736-A | Quinuclidine compounds for modulating alpha 7-nicotinic acetylcholine receptor activity | 20140711 |
TW-201617342-A | Acridine which regulates α7 activity | 20140711 |
US-2016009706-A1 | Quinuclidines for modulating alpha 7 activity | 20140711 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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