4-Methoxyindole-2-carboxylic Acid - CAS 103260-65-7

Catalog:	BB001064
Product Name:	4-Methoxyindole-2-carboxylic Acid
CAS:	103260-65-7
Synonyms:	4-methoxy-1H-indole-2-carboxylic acid; 4-methoxy-1H-indole-2-carboxylic acid

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Computed Properties

IUPAC Name:	4-methoxy-1H-indole-2-carboxylic acid
Description:	4-Methoxyindole-2-carboxylic Acid (CAS# 103260-65-7) is a useful research chemical.
Molecular Weight:	191.18
Molecular Formula:	C10H9NO3
Canonical SMILES:	COC1=CC=CC2=C1C=C(N2)C(=O)O
InChI:	InChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:	ZZAVIQXQBBOHBB-UHFFFAOYSA-N
Boiling Point:	447.6 °C at 760 mmHg
Density:	1.381 g/cm³
MDL:	MFCD02664458
LogP:	1.87470

Publication Number	Title	Priority Date
US-11124497-B1	Inhibitors of cysteine proteases and methods of use thereof	20200417
WO-2021205298-A1	Compounds and methods for the treatment of covid-19	20200405
WO-2021176369-A1	Methods of inhibiting sars-cov-2 replication and treating coronavirus disease 2019	20200306
KR-20180081810-A	N-substituted indole derivatives as PGE2 receptor modulators	20151120
WO-2016160677-A1	Compounds for the treatment of arenavirus infection	20150401

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[17746-05-3]
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[70199-62-1]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	1.9