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2-Methyl-2H-1,2,3-triazole-4-carboxylic Acid

2-Methyl-2H-1,2,3-triazole-4-carboxylic Acid - CAS 63062-88-4

Catalog:	BB031975
Product Name:	2-Methyl-2H-1,2,3-triazole-4-carboxylic Acid
CAS:	63062-88-4
Synonyms:	2-methyl-4-triazolecarboxylic acid; 2-methyltriazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methyltriazole-4-carboxylic acid
Description:	2-Methyl-2H-1,2,3-triazole-4-carboxylic Acid (CAS# 63062-88-4) is a useful research chemical.
Molecular Weight:	127.10
Molecular Formula:	C4H5N3O2
Canonical SMILES:	CN1N=CC(=N1)C(=O)O
InChI:	InChI=1S/C4H5N3O2/c1-7-5-2-3(6-7)4(8)9/h2H,1H3,(H,8,9)
InChI Key:	GFNZYOVVRMWTOF-UHFFFAOYSA-N
LogP:	-0.48670

Publication Number	Title	Priority Date
US-2021324179-A1	Controlling cure rate with wetted filler	20200415
WO-2021211182-A1	Compositions containing thermally conductive fillers	20200415
WO-2021211694-A1	Compositions containing thermally conductive fillers	20200415
WO-2021211722-A1	Compositions containing thermally conductive fillers	20200415
WO-2021211833-A1	Controlling cure rate with wetted filler	20200415

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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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1