3-Butynoic acid - CAS 2345-51-9

Catalog:	BB018063
Product Name:	3-Butynoic acid
CAS:	2345-51-9
Synonyms:	but-3-ynoic acid

Technical Data

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Computed Properties

IUPAC Name:	but-3-ynoic acid
Description:	3-Butynoic acid (CAS# 2345-51-9) is a useful research chemical.
Molecular Weight:	84.07
Molecular Formula:	C4H4O2
Canonical SMILES:	C#CCC(=O)O
InChI:	InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)
InChI Key:	KKAHGSQLSTUDAV-UHFFFAOYSA-N
Boiling Point:	194.9 °C at 760 mmHg
Density:	1.152 g/cm³
LogP:	0.09430

Publication Number	Title	Priority Date
CN-113200984-A	Synthetic method of indole base compound	20210422
CN-111635490-A	Branched chain type polycarboxylate superplasticizer mother liquor and preparation method thereof	20200624
CN-111362958-A	Rhodamine fluorescent probe for specifically recognizing reduced GSH (glutathione), and preparation method and application thereof	20200330
CN-111362958-B	Rhodamine fluorescent probe for specifically recognizing reduced GSH (glutathione), and preparation method and application thereof	20200330
WO-2021130329-A1	Radiolabeled peptides for non-invasive diagnosis and treatment of cxcr4 expressing tumors	20191227

PMID	Publication Date	Title	Journal
21220428	20110325	Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3	The Journal of biological chemistry
20301146	20100426	Rhenium(I)-catalyzed cyclization of silyl enol ethers containing a propargyl carboxylate moiety: versatile access to highly substituted phenols	Chemistry (Weinheim an der Bergstrasse, Germany)
20192265	20100324	Bioorthogonal chemical reporters for monitoring protein acetylation	Journal of the American Chemical Society
16848428	20060726	Ruthenium-catalyzed [1,n]-metallotropic shift (n = 3, 5) of alkynyl carbene complex intermediates	Journal of the American Chemical Society

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Related Functional Groups

Alkynes

[137648-47-6]
Silane, [(2-iodophenyl)ethynyl]trimethyl-
[1271-47-2]
Ethynylferrocene
[15430-52-1]
Propargylamine hydrochloride
[17156-64-8]
(Dimethylphenylsilyl)acetylene
[818-72-4]
1-Octyn-3-ol
[609769-63-3]
4-methyl-N-(2-phenylethynyl)-N-(phenylmethyl)-benzenesulfonamide

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P405, and P501
Signal Word:	Danger

Complexity:	95.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	84.021129366
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	84.021129366
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0