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2-Cyano-2-(hydroxyimino)acetic Acid Ethyl Ester Potassium Salt

2-Cyano-2-(hydroxyimino)acetic Acid Ethyl Ester Potassium Salt - CAS 158014-03-0

Catalog:	BB011381
Product Name:	2-Cyano-2-(hydroxyimino)acetic Acid Ethyl Ester Potassium Salt
CAS:	158014-03-0
Synonyms:	potassium;(2E)-2-cyano-2-oxidoiminoacetic acid ethyl ester; potassium;ethyl (2E)-2-cyano-2-oxidoiminoacetate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	potassium;ethyl (2E)-2-cyano-2-oxidoiminoacetate
Description:	2-Cyano-2-(hydroxyimino)acetic Acid Ethyl Ester Potassium Salt (CAS# 158014-03-0) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C5H5N2O3K
Canonical SMILES:	CCOC(=O)C(=N[O-])C#N.[K+]
InChI:	InChI=1S/C5H6N2O3.K/c1-2-10-5(8)4(3-6)7-9;/h9H,2H2,1H3;/q;+1/p-1/b7-4+;
InChI Key:	ZFBMUWGNRJITLS-KQGICBIGSA-M
LogP:	0.01188

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H312+H332 (100%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P333+P313, P362+P364, P405, and P501
Signal Word:	Danger

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	179.99372351
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.99372351
Rotatable Bond Count:	3
Topological Polar Surface Area:	85.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0