4-Bromobut-2-enoic Acid - CAS 20629-35-0

Catalog:	BB016116
Product Name:	4-Bromobut-2-enoic Acid
CAS:	20629-35-0
Synonyms:	(E)-4-bromo-2-butenoic acid; (E)-4-bromobut-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-4-bromobut-2-enoic acid
Description:	4-Bromobut-2-enoic Acid (CAS# 20629-35-0 ) is a useful research chemical.
Molecular Weight:	164.99
Molecular Formula:	C4H5BrO2
Canonical SMILES:	C(C=CC(=O)O)Br
InChI:	InChI=1S/C4H5BrO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
InChI Key:	DOTGZROJTAUYFQ-OWOJBTEDSA-N
LogP:	1.02210

Publication Number	Title	Priority Date
CN-112521451-A	Stable polypeptide and preparation method thereof	20201111
WO-2021209039-A1	Quinazoline compound, preparation method therefor and application thereof	20200417
WO-2021204823-A1	(1 h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer	20200407
JP-2021088683-A	Radical polymerizable resin composition, composite material and cured product	20191205
US-2021122764-A1	Small Molecule Inhibitors of KRAS G12C Mutant	20191028

PMID	Publication Date	Title	Journal
12933794	20031107	HADHB, HuR, and CP1 bind to the distal 3'-untranslated region of human renin mRNA and differentially modulate renin expression	The Journal of biological chemistry
12531425	20030301	Mechanism of inhibition of insulin-stimulated glucose transport by 4-bromocrotonic acid in 3T3-L1 adipocytes	Cellular signalling
12439634	20021101	The use of partial fatty acid oxidation inhibitors for metabolic therapy of angina pectoris and heart failure	Herz

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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:	87.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	163.94729
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.94729
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8