2,3-Dimethylindole-5-carboxylic Acid - CAS 14844-73-6

Catalog:	BB010302
Product Name:	2,3-Dimethylindole-5-carboxylic Acid
CAS:	14844-73-6
Synonyms:	2,3-dimethyl-1H-indole-5-carboxylic acid; 2,3-dimethyl-1H-indole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3-dimethyl-1H-indole-5-carboxylic acid
Description:	2,3-Dimethylindole-5-carboxylic Acid (CAS# 14844-73-6) is a useful research chemical.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CC1=C(NC2=C1C=C(C=C2)C(=O)O)C
InChI:	InChI=1S/C11H11NO2/c1-6-7(2)12-10-4-3-8(11(13)14)5-9(6)10/h3-5,12H,1-2H3,(H,13,14)
InChI Key:	KHJGIMZYCBPOBG-UHFFFAOYSA-N
Boiling Point:	424.6 °C at 760 mmHg
Density:	1.287 g/cm³;
MDL:	MFCD00464053
LogP:	2.48290

Publication Number	Title	Priority Date
WO-2021173593-A1	Indole compounds for the treatment of neurodegenerative diseases	20200224
WO-2020172565-A1	Methods and materials for increasing or maintaining nicotinamide mononucleotide adenylyl transferase-2 (nmnat2) polypeptide levels	20190222
US-2017174688-A1	Substituted Indoles	20141218
US-2017349589-A9	Substituted Indoles	20141218
US-9932340-B2	Substituted indoles	20141218

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (50%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3