6-Methylindole-3-carboxylic Acid - CAS 209920-43-4

Catalog:	BB016520
Product Name:	6-Methylindole-3-carboxylic Acid
CAS:	209920-43-4
Synonyms:	6-methyl-1H-indole-3-carboxylic acid; 6-methyl-1H-indole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-methyl-1H-indole-3-carboxylic acid
Description:	6-Methylindole-3-carboxylic Acid (CAS# 209920-43-4) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CC1=CC2=C(C=C1)C(=CN2)C(=O)O
InChI:	InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
InChI Key:	PHHZCIOPSFQASN-UHFFFAOYSA-N
Boiling Point:	411.5 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD06203633
LogP:	2.17450

Publication Number	Title	Priority Date
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
WO-2021130262-A1	Tetrahydrobenzo-quinoline sulfonamides derivative compounds	20191223
US-2020102303-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065613-A1	Monoacylglycerol lipase modulators	20180928
TW-202028198-A	Monoacylglycerol lipase modulators	20180928

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea

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:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.063328530
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4