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80348-66-9

80348-66-9 | 4-hydroxyisoxazole

CAS No: 80348-66-9 Catalog No: AG00G9F4 MDL No:MFCD18909313

Product Description

Catalog Number:
AG00G9F4
Chemical Name:
4-hydroxyisoxazole
CAS Number:
80348-66-9
Molecular Formula:
C3H3NO2
Molecular Weight:
85.0614
MDL Number:
MFCD18909313
IUPAC Name:
1,2-oxazol-4-ol
InChI:
InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H
InChI Key:
ABFBKQBATYREHU-UHFFFAOYSA-N
SMILES:
Oc1conc1

Properties

Complexity:
48.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.016g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
85.062g/mol
Monoisotopic Mass:
85.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

Literature

Title Journal
Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials. Bioorganic & medicinal chemistry letters 20040920
Identification and quantification of natural isoxazolinone compounds by capillary zone electrophoresis. Journal of chromatography. A 20011109
Amino acids in seeds and seedlings of the genus Lens. Phytochemistry 20010901

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