1-Methyl-6-indolecarboxylic Acid - CAS 202745-73-1

Catalog:	BB015752
Product Name:	1-Methyl-6-indolecarboxylic Acid
CAS:	202745-73-1
Synonyms:	1-methyl-6-indolecarboxylic acid; 1-methylindole-6-carboxylic acid

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Computed Properties

IUPAC Name:	1-methylindole-6-carboxylic acid
Description:	1-Methyl-6-indolecarboxylic Acid (CAS# 202745-73-1) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CN1C=CC2=C1C=C(C=C2)C(=O)O
InChI:	InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
InChI Key:	DJQOGNYSBOIJKE-UHFFFAOYSA-N
Boiling Point:	389 °C at 760 mmHg
Density:	1.24 g/cm³
Appearance:	Light yellow solid
MDL:	MFCD08690250
LogP:	1.87650

Publication Number	Title	Priority Date
CA-3051419-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
US-2020055871-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
WO-2020036574-A1	Activators of the retinoic acid inducible gene "rig-i' pathway and methods of use thereof	20180817
WO-2020036812-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
TW-202035426-A	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5