Imidazole-2-carboxylic Acid - CAS 16042-25-4

Catalog:	BB011634
Product Name:	Imidazole-2-carboxylic Acid
CAS:	16042-25-4
Synonyms:	1H-imidazole-2-carboxylic acid; 1H-imidazole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1H-imidazole-2-carboxylic acid
Description:	Imidazole-2-carboxylic Acid (CAS# 16042-25-4) is a useful research chemical.
Molecular Weight:	112.09
Molecular Formula:	C4H4N2O2
Canonical SMILES:	C1=CN=C(N1)C(=O)O
InChI:	InChI=1S/C4H4N2O2/c7-4(8)3-5-1-2-6-3/h1-2H,(H,5,6)(H,7,8)
InChI Key:	KYWMCFOWDYFYLV-UHFFFAOYSA-N
Boiling Point:	407.9 °C at 760 mmHg
Density:	1.524 g/cm³
MDL:	MFCD00270816
LogP:	0.10790

Publication Number	Title	Priority Date
US-2016096827-A1	Tank-binding kinase inhibitor compounds	20140926
US-9126878-B1	Ethylene separation with temperature swing adsorption	20140801
WO-2015196018-A1	Material itq-55, method for preparation and use	20140620
WO-2015196023-A1	Separation, storage, and catalytic conversion of fluids using itq-55	20140620
WO-2015196026-A1	Separation and storage of fluids using itq-55	20140620

PMID	Publication Date	Title	Journal
23034485	20121118	A highly permeable and selective zeolitic imidazolate framework ZIF-95 membrane for H2/CO2 separation	Chemical communications (Cambridge, England)
23022237	20121109	Sonication-assisted emulsification microextraction combined with vortex-assisted porous membrane-protected micro-solid-phase extraction using mixed zeolitic imidazolate frameworks 8 as sorbent	Journal of chromatography. A
23039827	20121031	Postsynthetic ligand and cation exchange in robust metal-organic frameworks	Journal of the American Chemical Society
22987754	20121015	Organosilica-functionalized zeolitic imidazolate framework ZIF-90 membrane with high gas-separation performance	Angewandte Chemie (International ed. in English)
22914856	20121014	Zeolitic imidazolate framework [Zn2(IM)4·(DMF)] for UV-white light-emitting diodes	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.027277375
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	112.027277375
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1