4-Pentynoic acid - CAS 6089-09-4

Catalog:	BB030848
Product Name:	4-Pentynoic acid
CAS:	6089-09-4
Synonyms:	pent-4-ynoic acid

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Computed Properties

IUPAC Name:	pent-4-ynoic acid
Description:	4-Pentynoic acid (CAS# 6089-09-4) is a hypoglycemic agent shown to increase liver tyrosine aminotransferase and plasma corticosterone while decreasing blood sugar in rats.
Molecular Weight:	98.10
Molecular Formula:	C5H6O2
Canonical SMILES:	C#CCCC(=O)O
InChI:	InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
InChI Key:	MLBYLEUJXUBIJJ-UHFFFAOYSA-N
Boiling Point:	110 ℃30 mmHg (lit.)
Melting Point:	56-60 ℃
Purity:	95 %
Density:	1.096 g/cm³
Appearance:	White to off-white crystalline powder
Storage:	2-8 ℃
MDL:	MFCD00004407
LogP:	0.48440

Publication Number	Title	Priority Date
CN-113456827-A	Nano material and preparation method and application thereof	20210527
CN-112986349-A	Magnetic bead modification labeling method for electrochemiluminescence detection	20210508
CN-112986349-B	Magnetic bead modification labeling method for electrochemiluminescence detection	20210508
CN-113248408-A	Multi-modal molecular imaging probe P-FFGd-TCO and preparation method and application thereof	20210430
CN-113087833-A	Polymer-supported artificial catalysis triad catalyst and preparation method and application thereof	20210331

PMID	Publication Date	Title	Journal
22361388	20120223	Anti-malarial activity of geldanamycin derivatives in mice infected with Plasmodium yoelii	Malaria journal
22006105	20111128	Vanadium bromoperoxidase from Delisea pulchra: enzyme-catalyzed formation of bromofuranone and attendant disruption of quorum sensing	Chemical communications (Cambridge, England)
21674326	20110101	Preparation of peptide and other biomolecular conjugates through chemoselective ligations	Methods in molecular biology (Clifton, N.J.)
20674031	20101101	Preparation, 99mTc-labeling and biodistribution studies of a PNA oligomer containing a new ligand derivative of 2,2'-dipicolylamine	Journal of inorganic biochemistry
20678775	20101015	Covalent immobilization of redox protein via click chemistry and carbodiimide reaction: direct electron transfer and biocatalysis	Journal of colloid and interface science

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	107
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:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3