1-Methyl-7-indolecarboxylic Acid - CAS 167479-16-5

Catalog:	BB012398
Product Name:	1-Methyl-7-indolecarboxylic Acid
CAS:	167479-16-5
Synonyms:	1-methyl-7-indolecarboxylic acid; 1-methylindole-7-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-methylindole-7-carboxylic acid
Description:	1-Methyl-7-indolecarboxylic Acid (CAS# 167479-16-5) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CN1C=CC2=C1C(=CC=C2)C(=O)O
InChI:	InChI=1S/C10H9NO2/c1-11-6-5-7-3-2-4-8(9(7)11)10(12)13/h2-6H,1H3,(H,12,13)
InChI Key:	DWKIPLIDZYRILV-UHFFFAOYSA-N
LogP:	1.87650

Publication Number	Title	Priority Date
TW-202035409-A	Monoacylglycerol lipase modulators	20180928
EP-3423435-A1	Substituted indole mcl-1 inhibitors	20160304
CN-108349949-A	N- substituted indole derivatives as PGE2 receptor modulators	20151120
US-2020289507-A1	N-substituted indole derivatives as pge2 receptor modulators	20151120
US-10131653-B2	Heterocyclic compound	20150424

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5