Home Other Building Blocks 2-Chloroacrylic acid

2-Chloroacrylic acid

CAS No.:
598-79-8
Catalog Number:
AG003H1D
Molecular Formula:
C3H3ClO2
Molecular Weight:
106.5077
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Product Description
Catalog Number:
AG003H1D
Chemical Name:
2-Chloroacrylic acid
CAS Number:
598-79-8
Molecular Formula:
C3H3ClO2
Molecular Weight:
106.5077
MDL Number:
MFCD00014336
IUPAC Name:
2-chloroprop-2-enoic acid
InChI:
InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChI Key:
SZTBMYHIYNGYIA-UHFFFAOYSA-N
SMILES:
ClC(=C)C(=O)O
EC Number:
209-953-9
NSC Number:
97174
Properties
Complexity:
86.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1.2  
Literature
Title Journal
Unusual regulation of a leaderless operon involved in the catabolism of dimethylsulfoniopropionate in Rhodobacter sphaeroides. PloS one 20110101
A mechanistic analysis of enzymatic degradation of organohalogen compounds. Bioscience, biotechnology, and biochemistry 20110101
Pd(0)-Catalyzed carbonylation of 1,1-dichloro-1-alkenes, a new selective access to Z-α-chloroacrylates. Chemical communications (Cambridge, England) 20101107
2-haloacrylate hydratase, a new class of flavoenzyme that catalyzes the addition of water to the substrate for dehalogenation. Applied and environmental microbiology 20100901
Methyl (Z)-2-chloro-3-(2-methoxy-carbonyl-phen-yl)prop-2-enoate. Acta crystallographica. Section E, Structure reports online 20100201
Differences in muscle and adipose tissue gene expression and cardio-metabolic risk factors in the members of physical activity discordant twin pairs. PloS one 20100101
Circadian signatures in rat liver: from gene expression to pathways. BMC bioinformatics 20100101
Production of (S)-2-chloropropionate by asymmetric reduction of 2-chloroacrylate with 2-haloacrylate reductase coupled with glucose dehydrogenase. Journal of bioscience and bioengineering 20080401
2-Haloacrylate reductase, a novel enzyme of the medium chain dehydrogenase/reductase superfamily that catalyzes the reduction of a carbon-carbon double bond of unsaturated organohalogen compounds. The Journal of biological chemistry 20050527
Properties