3-Methyl-1H-indole-2-carboxylic Acid - CAS 10590-73-5

Catalog:	BB001737
Product Name:	3-Methyl-1H-indole-2-carboxylic Acid
CAS:	10590-73-5
Synonyms:	3-methyl-1H-indole-2-carboxylic acid; 3-methyl-1H-indole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-methyl-1H-indole-2-carboxylic acid
Description:	3-Methyl-1H-indole-2-carboxylic Acid (CAS# 10590-73-5) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CC1=C(NC2=CC=CC=C12)C(=O)O
InChI:	InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:	NCXGWFIXUJHVLI-UHFFFAOYSA-N
Boiling Point:	409.9 °C at 760 mmHg
Density:	1.34 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD01652241
LogP:	2.17450

Publication Number	Title	Priority Date
WO-2021050555-A1	Compositions and uses thereof	20190910
WO-2020181931-A1	Heptamethine carboxylindole cyanine dye and preparation method and application therefor	20190308
CN-109580864-A	The remaining detection method of Nosiheptide in a kind of animal food	20190218
CN-109580864-B	The remaining detection method of Nosiheptide in a kind of animal food	20190218
CN-109694343-A	A kind of heterocyclic carboxylic acid class compound it is decarboxylation method used	20181219

PMID	Publication Date	Title	Journal
22097883	20120417	Radical-mediated enzymatic methylation: a tale of two SAMS	Accounts of chemical research
21454624	20110617	Characterization of NocL involved in thiopeptide nocathiacin I biosynthesis: a [4Fe-4S] cluster and the catalysis of a radical S-adenosylmethionine enzyme	The Journal of biological chemistry
21240261	20110301	Radical-mediated enzymatic carbon chain fragmentation-recombination	Nature chemical biology
16076633	20051001	Isolation of three new naturally occurring compounds from the culture of Micromonospora sp. P1068	Natural product research

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3