sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 2-Propynoic acid, 3-bromo-

2-Propynoic acid, 3-bromo-

CAS No.:
16900-53-1
Catalog Number:
AG001YFP
Molecular Formula:
C3HBrO2
Molecular Weight:
148.9428
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001YFP
Chemical Name:
2-Propynoic acid, 3-bromo-
CAS Number:
16900-53-1
Molecular Formula:
C3HBrO2
Molecular Weight:
148.9428
MDL Number:
MFCD27939325
IUPAC Name:
3-bromoprop-2-ynoic acid
InChI:
InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6)
InChI Key:
ZSHNFLCNZCPFAB-UHFFFAOYSA-N
SMILES:
OC(=O)C#CBr
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.916g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.943g/mol
Monoisotopic Mass:
147.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Syntheses of α-pyrones using gold-catalyzed coupling reactions. Organic letters 20110603
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity. Acta crystallographica. Section D, Biological crystallography 20081201
Characterization of Cg10062 from Corynebacterium glutamicum: implications for the evolution of cis-3-chloroacrylic acid dehalogenase activity in the tautomerase superfamily. Biochemistry 20080805
Evolution of enzymatic activity in the tautomerase superfamily: mechanistic and structural studies of the 1,3-dichloropropene catabolic enzymes. Bioorganic chemistry 20041001
The X-ray structure of trans-3-chloroacrylic acid dehalogenase reveals a novel hydration mechanism in the tautomerase superfamily. The Journal of biological chemistry 20040319
Reactions of 4-oxalocrotonate tautomerase and YwhB with 3-halopropiolates: analysis and implications. Biochemistry 20040127
Reactions of trans-3-chloroacrylic acid dehalogenase with acetylene substrates: consequences of and evidence for a hydration reaction. Biochemistry 20030729
Properties