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1-(2-Hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid

1-(2-Hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid - CAS 74731-49-0

Catalog:	BB035147
Product Name:	1-(2-Hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS:	74731-49-0
Synonyms:	1-(2-hydroxyethyl)triazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(2-hydroxyethyl)triazole-4-carboxylic acid
Description:	1-(2-Hydroxyethyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS# 74731-49-0) is a useful research chemical.
Molecular Weight:	157.13
Molecular Formula:	C5H7N3O3
Canonical SMILES:	C1=C(N=NN1CCO)C(=O)O
InChI:	InChI=1S/C5H7N3O3/c9-2-1-8-3-4(5(10)11)6-7-8/h3,9H,1-2H2,(H,10,11)
InChI Key:	BNFYIPJNVQYQDM-UHFFFAOYSA-N
MDL:	MFCD11213557
LogP:	-1.03140

Publication Number	Title	Priority Date
KR-20180068543-A	Polishing slurry composition for tungsten layer	20161214
KR-20180068544-A	Slurry composition for polishing and polishing method using the same	20161214
AU-2015320675-A1	Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds	20140926
AU-2015320675-B2	Aminotriazine derivatives useful as tank-binding kinase inhibitor compounds	20140926
BR-102015024618-A2	tank binding kinase inhibitor compounds	20140926

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.04874109
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	157.04874109
Rotatable Bond Count:	3
Topological Polar Surface Area:	88.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2