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2-(1,3-Dioxolan-2-yl)thiazole-5-carboxylic Acid

2-(1,3-Dioxolan-2-yl)thiazole-5-carboxylic Acid - CAS 603999-23-1

Catalog:	BB030679
Product Name:	2-(1,3-Dioxolan-2-yl)thiazole-5-carboxylic Acid
CAS:	603999-23-1
Synonyms:	2-(1,3-dioxolan-2-yl)-5-thiazolecarboxylic acid; 2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxylic acid
Description:	2-(1,3-Dioxolan-2-yl)thiazole-5-carboxylic Acid (CAS# 603999-23-1) is a useful research chemical.
Molecular Weight:	201.20
Molecular Formula:	C7H7NO4S
Canonical SMILES:	C1COC(O1)C2=NC=C(S2)C(=O)O
InChI:	InChI=1S/C7H7NO4S/c9-6(10)4-3-8-5(13-4)7-11-1-2-12-7/h3,7H,1-2H2,(H,9,10)
InChI Key:	YDRYBXHGSZTEQJ-UHFFFAOYSA-N
LogP:	0.88670

Publication Number	Title	Priority Date
US-2011213003-A1	Substituted hydroxamic acids and uses thereof	20100226
US-2014228416-A1	Substituted hydroxamic acids and uses thereof	20100226
US-8546588-B2	Substituted hydroxamic acids and uses thereof	20100226
US-9227951-B2	Substituted hydroxamic acids and uses thereof	20100226
WO-2011106627-A1	Substituted hydroxamic acids and uses thereof	20100226

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.00957888
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.00957888
Rotatable Bond Count:	2
Topological Polar Surface Area:	96.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3