4-Amino-1,2,5-oxadiazole-3-carboxylic Acid - CAS 78350-50-2

Catalog:	BB036155
Product Name:	4-Amino-1,2,5-oxadiazole-3-carboxylic Acid
CAS:	78350-50-2
Synonyms:	4-amino-1,2,5-oxadiazole-3-carboxylic acid; 4-amino-1,2,5-oxadiazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-amino-1,2,5-oxadiazole-3-carboxylic acid
Description:	4-Amino-1,2,5-oxadiazole-3-carboxylic Acid (CAS# 78350-50-2) is a useful research chemical.
Molecular Weight:	129.07
Molecular Formula:	C3H3N3O3
Canonical SMILES:	C1(=NON=C1N)C(=O)O
InChI:	InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)
InChI Key:	YOXIXLVJYMCCIB-UHFFFAOYSA-N
Boiling Point:	385.4 °C at 760 mmHg
Density:	1.756 g/cm³
MDL:	MFCD00235172
LogP:	-0.06880

Publication Number	Title	Priority Date
US-2013267521-A1	Heterocyclic compounds and uses thereof	20120410
US-2015105385-A1	Heterocyclic compounds and uses thereof	20120410
US-8940742-B2	Heterocyclic compounds and uses thereof	20120410
WO-2013154878-A1	Heterocyclic compounds and uses thereof	20120410
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.01744097
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	129.01744097
Rotatable Bond Count:	1
Topological Polar Surface Area:	102 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2