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10004-44-1

10004-44-1 | 3(2H)-Isoxazolone, 5-methyl-

CAS No: 10004-44-1 Catalog No: AG0000N6 MDL No:MFCD00144468

Product Description

Catalog Number:
AG0000N6
Chemical Name:
3(2H)-Isoxazolone, 5-methyl-
CAS Number:
10004-44-1
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
MDL Number:
MFCD00144468
IUPAC Name:
5-methyl-1,2-oxazol-3-one
InChI:
InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
InChI Key:
KGVPNLBXJKTABS-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]o1
EC Number:
233-000-6
UNII:
20T2M875LO
NSC Number:
217971

Properties

Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Literature

Title Journal
Metabolites from Aspergillus fumigatus, an endophytic fungus associated with Melia azedarach, and their antifungal, antifeedant, and toxic activities. Journal of agricultural and food chemistry 20120404
Synthesis and antifungal activity of novel sulfone derivatives containing 1,3,4-oxadiazole moieties. Molecules (Basel, Switzerland) 20111101
Synthesis and antifungal activities of novel 5,6-dihydro-indolo[1,2-a]quinoxaline derivatives. European journal of medicinal chemistry 20110501
Antifungal agents. Part 5: synthesis and antifungal activities of aminoguanidine derivatives of N-arylsulfonyl-3-acylindoles. Bioorganic & medicinal chemistry letters 20101215
Synthesis and antifungal activity of novel sulfoxide derivatives containing trimethoxyphenyl substituted 1,3,4-thiadiazole and 1,3,4-oxadiazole moiety. Bioorganic & medicinal chemistry 20080401
Synthesis and antifungal activities of 5-(3,4,5-trimethoxyphenyl)-2-sulfonyl-1,3,4-thiadiazole and 5-(3,4,5-trimethoxyphenyl)-2-sulfonyl-1,3,4-oxadiazole derivatives. Bioorganic & medicinal chemistry 20070615
Synthesis and antifungal activity of novel s-substituted 6-fluoro-4-alkyl(aryl)thioquinazoline derivatives. Bioorganic & medicinal chemistry 20070601

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