2-Pentynoic acid - CAS 5963-77-9

Catalog:	BB030443
Product Name:	2-Pentynoic acid
CAS:	5963-77-9
Synonyms:	Pentynoic acid

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BB030443	10 g	$298	In stock

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IUPAC Name:	pent-2-ynoic acid
Description:	2-Pentynoic acid (CAS# 5963-77-9) is a chemical reagent used in the preparation of various organic molecule. Used in the stereoselective synthesis of vinylstannanes. In addition, it is used in the synthesis of spiroindolines derivatives.
Molecular Weight:	98.10
Molecular Formula:	C5H6O2
Canonical SMILES:	CCC#CC(=O)O
InChI:	InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2H2,1H3,(H,6,7)
InChI Key:	MINRDQDGBLQBGD-UHFFFAOYSA-N
Boiling Point:	125 °C at 30 mmHg
Density:	1.102 g/cm³
MDL:	MFCD00014370
LogP:	0.48440

Publication Number	Title	Priority Date
US-2016031891-A1	Inhibitors of bruton's tyrosine kinase	20140801
WO-2015192183-A1	Hetero functional binding systems	20140617
US-2015353572-A1	1,3-benzothiazinone, sulfoxide, and sulfone compounds with electrophilic substituent	20140609
WO-2015164458-A1	Isoxazoline hydroxamic acid derivatives as lpxc inhibitors	20140422
WO-2015153345-A1	Supramolecular combinatorial therapeutics	20140403

PMID	Publication Date	Title	Journal
22265541	20120115	Automated determination of total captopril in urine by liquid chromatography with post-column derivatization coupled to on-line solid phase extraction in a sequential injection manifold	Talanta
20402640	20100701	High throughput automated determination of glutathione based on the formation of a UV-absorbing thioacrylate derivative	Combinatorial chemistry & high throughput screening
19525082	20091015	Ethyl-propiolate as a novel and promising analytical reagent for the derivatization of thiols: study of the reaction under flow conditions	Journal of pharmaceutical and biomedical analysis
19150597	20090215	Synthesis of hydroxycoumarins and hydroxybenzo[f]- or [h]coumarins as lipid peroxidation inhibitors	Bioorganic & medicinal chemistry letters
17465551	20070523	Synthesis of molecular brushes by 'grafting onto' method: combination of ATRP and click reactions	Journal of the American Chemical Society

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.036779430
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.036779430
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2