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Home Halogens Trans-3-chloroacrylic acid

Trans-3-chloroacrylic acid

CAS No.:
2345-61-1
Catalog Number:
AG002NB0
Molecular Formula:
C3H3ClO2
Molecular Weight:
106.5077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$138
- +
5g
97%
In Stock USA
United States
$400
- +
10g
97%
In Stock USA
United States
$563
- +
25g
97%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG002NB0
Chemical Name:
Trans-3-chloroacrylic acid
CAS Number:
2345-61-1
Molecular Formula:
C3H3ClO2
Molecular Weight:
106.5077
MDL Number:
MFCD00064237
IUPAC Name:
(E)-3-chloroprop-2-enoic acid
InChI:
InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
InChI Key:
MHMUCYJKZUZMNJ-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/Cl
EC Number:
219-070-0
Properties
Complexity:
76.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
105.982g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
106.505g/mol
Monoisotopic Mass:
105.982g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Dehalogenation of an anthropogenic compound by an engineered variant of the mouse cytokine macrophage migration inhibitory factor. Chembiochem : a European journal of chemical biology 20120618
Characterization of a newly identified mycobacterial tautomerase with promiscuous dehalogenase and hydratase activities reveals a functional link to a recently diverged cis-3-chloroacrylic acid dehalogenase. Biochemistry 20110412
Phenylpyruvate tautomerase activity of trans-3-chloroacrylic acid dehalogenase: evidence for an enol intermediate in the dehalogenase reaction? Biochemistry 20070821
Properties