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2345-61-1 | 2-Propenoic acid, 3-chloro-, (2E)-
CAS No: 2345-61-1 Catalog No: AG002NB0 MDL No:MFCD00064237
Product Description
Catalog Number:
AG002NB0
Chemical Name:
2-Propenoic acid, 3-chloro-, (2E)-
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 |
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