2-Oxopropanal-1-oxime - CAS 306-44-5

Catalog:	BB020665
Product Name:	2-Oxopropanal-1-oxime
CAS:	306-44-5
Synonyms:	(1E)-2-oxopropanal oxime; (1E)-1-hydroxyiminopropan-2-one

Technical Data

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Computed Properties

IUPAC Name:	(1E)-1-hydroxyiminopropan-2-one
Description:	2-Oxopropanal-1-oxime (CAS# 306-44-5) is a useful research chemical.
Molecular Weight:	87.08
Molecular Formula:	C3H5NO2
Canonical SMILES:	CC(=O)C=NO
InChI:	InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+
InChI Key:	OVGLVOLWBBGQHS-DUXPYHPUSA-N
Boiling Point:	193 °C at 760 mmHg
Density:	1.1 g/cm³
Appearance:	Solid
LogP:	0.03540
Vapor Pressure:	0.2 [mmHg]

Publication Number	Title	Priority Date
US-2011124881-A1	Process of forming a pyrrole compound	20090519
US-2009258855-A1	Bicyclic triazoles as protein kinase modulators	20061023
US-2008039457-A1	Triazolotriazines as kinase inhibitors	20060807
US-2010130467-A1	Triazolotriazines as kinase inhibitors	20060807
US-2011144113-A1	Triazolotriazines as kinase inhibitors	20060807

PMID	Publication Date	Title	Journal
22960624	20130325	Centrally acting oximes in reactivation of tabun-phosphoramidated AChE	Chemico-biological interactions
22975155	20130325	Mechanism of interaction of novel uncharged, centrally active reactivators with OP-hAChE conjugates	Chemico-biological interactions
21930118	20111115	Reactivation of organophosphate-inhibited human acetylcholinesterase by isonitrosoacetone (MINA): a kinetic analysis	Chemico-biological interactions
21464125	20110603	New structural scaffolds for centrally acting oxime reactivators of phosphylated cholinesterases	The Journal of biological chemistry
21438612	20110512	Amidine-oximes: reactivators for organophosphate exposure	Journal of medicinal chemistry

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[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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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:	76.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	87.032028402
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4