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16900-53-1 | 2-Propynoic acid, 3-bromo-
CAS No: 16900-53-1 Catalog No: AG001YFP MDL No:MFCD00971920
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:
MFCD00971920
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 |
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