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Home Halogens 2,3-Dichloro-4-oxobut-2-enoic acid

2,3-Dichloro-4-oxobut-2-enoic acid

CAS No.:
87-56-9
Catalog Number:
AG00IEB0
Molecular Formula:
C4H2Cl2O3
Molecular Weight:
168.9629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(HPLC)
In Stock USA
United States
$46
- +
25g
98%(HPLC)
In Stock USA
United States
$57
- +
100g
98%(HPLC)
In Stock USA
United States
$112
- +
500g
98%(HPLC)
In Stock USA
United States
$376
- +
Product Description
Catalog Number:
AG00IEB0
Chemical Name:
2,3-Dichloro-4-oxobut-2-enoic acid
CAS Number:
87-56-9
Molecular Formula:
C4H2Cl2O3
Molecular Weight:
168.9629
MDL Number:
MFCD00135465
IUPAC Name:
(Z)-2,3-dichloro-4-oxobut-2-enoic acid
InChI:
InChI=1S/C4H2Cl2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
InChI Key:
LUMLZKVIXLWTCI-IHWYPQMZSA-N
SMILES:
O=C/C(=C(\C(=O)O)/Cl)/Cl
EC Number:
201-752-4
UNII:
5I5877JHIW
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
167.938g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.957g/mol
Monoisotopic Mass:
167.938g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Reactivity of mucohalic acids in water. Water research 20110101
Novel synthons from mucochloric acid: the first use of alpha,beta-dichloro-gamma-butenolides and gamma-butyrolactams for direct vinylogous aldol addition. The Journal of organic chemistry 20070427
Novel anti-bacterials against MRSA: synthesis of focussed combinatorial libraries of tri-substituted 2(5H)-furanones. Current drug discovery technologies 20060601
First direct reductive amination of mucochloric acid: a simple and efficient method for preparing highly functionalized alpha,beta-unsaturated gamma-butyrolactams. Organic letters 20030220
Mutagenicity in vitro of 3,4-dichloro-5-hydroxy-2(5H)-furanone (mucochloric acid), a chlorine disinfection by-product in drinking water. Environmental and molecular mutagenesis 19950101
Properties