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191847-22-0 | 3-Pentynoic acid, 2-oxo-
CAS No: 191847-22-0 Catalog No: AG002FHP MDL No:MFCD19229928
Product Description
Catalog Number:
AG002FHP
Chemical Name:
3-Pentynoic acid, 2-oxo-
CAS Number:
191847-22-0
Molecular Formula:
C5H4O3
Molecular Weight:
112.0835
MDL Number:
MFCD19229928
IUPAC Name:
2-oxopent-3-ynoic acid
InChI:
InChI=1S/C5H4O3/c1-2-3-4(6)5(7)8/h1H3,(H,7,8)
InChI Key:
HKPXLDLEWBPXFW-UHFFFAOYSA-N
SMILES:
CC#CC(=O)C(=O)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.016g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.084g/mol
Monoisotopic Mass:
112.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 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 |
| Inactivation of Cg10062, a cis-3-chloroacrylic acid dehalogenase homologue in Corynebacterium glutamicum, by (R)- and (S)-oxirane-2-carboxylate: analysis and implications. | Biochemistry 20080819 |
| Characterization of Cg10062 from Corynebacterium glutamicum: implications for the evolution of cis-3-chloroacrylic acid dehalogenase activity in the tautomerase superfamily. | Biochemistry 20080805 |
| Structure of the PII signal transduction protein of Neisseria meningitidis at 1.85 A resolution. | Acta crystallographica. Section F, Structural biology and crystallization communications 20060601 |
| Crystal structures of the wild-type, P1A mutant, and inactivated malonate semialdehyde decarboxylase: a structural basis for the decarboxylase and hydratase activities. | Biochemistry 20051115 |
| Inactivation of malonate semialdehyde decarboxylase by 3-halopropiolates: evidence for hydratase activity. | Biochemistry 20050705 |
| The hydratase activity of malonate semialdehyde decarboxylase: mechanistic and evolutionary implications. | Journal of the American Chemical Society 20041208 |
| Cloning, expression, and characterization of a cis-3-chloroacrylic acid dehalogenase: insights into the mechanistic, structural, and evolutionary relationship between isomer-specific 3-chloroacrylic acid dehalogenases. | Biochemistry 20040127 |
| Reactions of trans-3-chloroacrylic acid dehalogenase with acetylene substrates: consequences of and evidence for a hydration reaction. | Biochemistry 20030729 |
| Analysis of the roles of amino acid residues in the flavoprotein tryptophan 2-monooxygenase modified by 2-oxo-3-pentynoate: characterization of His338, Cys339, and Cys511 mutant enzymes. | Archives of biochemistry and biophysics 20020601 |
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