2-(2-Tetrazolyl)acetic Acid - CAS 21743-64-6

Catalog:	BB017127
Product Name:	2-(2-Tetrazolyl)acetic Acid
CAS:	21743-64-6
Synonyms:	2-(2-tetrazolyl)acetic acid; 2-(tetrazol-2-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(tetrazol-2-yl)acetic acid
Description:	2-(2-Tetrazolyl)acetic Acid (CAS# 21743-64-6) is a useful research chemical.
Molecular Weight:	128.09
Molecular Formula:	C3H4N4O2
Canonical SMILES:	C1=NN(N=N1)CC(=O)O
InChI:	InChI=1S/C3H4N4O2/c8-3(9)1-7-5-2-4-6-7/h2H,1H2,(H,8,9)
InChI Key:	ZYHXBGMQUWRUBE-UHFFFAOYSA-N
Boiling Point:	381.1 °C at 760 mmHg
Density:	1.78 g/cm³
LogP:	-1.24230

Publication Number	Title	Priority Date
CN-110041352-A	Tetrazoleacetic acid lanthanum energetic compound synthetic method and its influence that HMX is thermally decomposed	20190521
CN-110054641-A	Tetrazoleacetic acid cerium energetic compound synthetic method and its facilitation that HMX is thermally decomposed	20190521
US-2018282331-A1	7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS	20151109
WO-2017081615-A1	7-oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections	20151109
AU-2014375553-A1	1-(3-aminopropyl) substituted cyclic amine compounds, preparation method therefor, and pharmaceutical compositions and uses thereof	20131230

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2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.03342538
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.03342538
Rotatable Bond Count:	2
Topological Polar Surface Area:	80.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2