Methyl 3-Formylindole-6-carboxylate - CAS 133831-28-4

Catalog:	BB007823
Product Name:	Methyl 3-Formylindole-6-carboxylate
CAS:	133831-28-4
Synonyms:	3-formyl-1H-indole-6-carboxylic acid methyl ester; methyl 3-formyl-1H-indole-6-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-formyl-1H-indole-6-carboxylate
Description:	Methyl 3-Formylindole-6-carboxylate (CAS# 133831-28-4) is a useful research chemical.
Molecular Weight:	203.19
Molecular Formula:	C11H9NO3
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)C(=CN2)C=O
InChI:	InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3
InChI Key:	KRDRROJESQUFMJ-UHFFFAOYSA-N
Boiling Point:	404.4 °C at 760 mmHg
Density:	1.341 g/cm³
Appearance:	Pale reddish-brown to purple powder
MDL:	MFCD00216479
LogP:	1.76700

Publication Number	Title	Priority Date
US-2021300912-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127302-A1	2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021017795-A1	Î±,Î²-UNSATURATED KETONE DERIVATIVE, PREPARATION METHOD AND USE AS MEDICINE	20190726
AU-2017326356-A1	Hepatitis B core protein modulators	20160915
EP-3512845-A1	Hepatitis b core protein modulators	20160915

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Related Functional Groups

Carbonyl Compounds

[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
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde

GHS Hazard Statement:	H315+H320 (50%): Cause skin and eye irritation [Warning Skin corrosion/irritation and serious eye damage/eye 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:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.058243149
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.058243149
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5