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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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 Î±7 activity	20140711
US-2016009706-A1	Quinuclidines for modulating alpha 7 activity	20140711

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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

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