4-Pentenoic acid - CAS 591-80-0

Catalog:	BB030294
Product Name:	4-Pentenoic acid
CAS:	591-80-0
Synonyms:	pent-4-enoic acid

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Computed Properties

IUPAC Name:	pent-4-enoic acid
Description:	4-Pentenoic acid (CAS# 591-80-0) is a useful research chemical.
Molecular Weight:	100.12
Molecular Formula:	C5H8O2
Canonical SMILES:	C=CCCC(=O)O
InChI:	InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChI Key:	HVAMZGADVCBITI-UHFFFAOYSA-N
Boiling Point:	83-84 °C (12 mmHg)
Melting Point:	-22.5 °C
Purity:	> 98.0 % (GC) (T)
Density:	0.981 g/cm³
Appearance:	Clear colorless to light yellow liquid
Storage:	2-8 °C
MDL:	MFCD00004408
LogP:	1.03720

Publication Number	Title	Priority Date
US-2015368593-A1	Cleaning composition having improved vertical cling	20140623
WO-2015199928-A1	Cleaning composition having improved vertical cling	20140623
EP-2952267-A2	Reactive superhydrophobic surfaces, patterned superhydrophobic surfaces, methods for producing the same and use of the patterned superhydrophobic surfaces	20140603
WO-2015185430-A1	Agrochemical suspoemulsion comprising polymer particles made of methyl (meth)acrylate and c2-c12 alkyl (meth)acrylate	20140603
WO-2015171430-A1	Synthesis of boronate salts and uses thereof	20140505

PMID	Publication Date	Title	Journal
28452736	20170201	[ACTION OF L-CARNITINE, CORVITIN AND THEIR COMBINATION ON FUNCTIONAL STATE OF LIVER IN EXPERIMENTAL MODEL OF REYE SYNDROME IN RATS]	Georgian medical news
23046286	20121102	Isoselenazolones as catalysts for the activation of bromine: bromolactonization of alkenoic acids and oxidation of alcohols	The Journal of organic chemistry
22450340	20120401	Magnesium sulfate suppresses L-type calcium currents on the basilar artery smooth muscle cells in rabbits	Neurological research
22113822	20120301	Osteocytic network is more responsive in calcium signaling than osteoblastic network under fluid flow	Journal of bone and mineral research : the official journal of the American Society for Bone and Mineral Research
22563425	20120101	The Ruegeria pomeroyi acuI gene has a role in DMSP catabolism and resembles yhdH of E. coli and other bacteria in conferring resistance to acrylate	PloS one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	76.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.052429494
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.052429494
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8