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3-Hydroxyisoxazole-5-carboxamide

CAT: 0127-OR1057277-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057277-01Size:100 mg
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CAS Number
14016-01-4
MDL Number
MFCD27923182
Purity
97%
Smiles
O=C(C1=CC(O)=NO1)N

Chemical Information

3-Hydroxyisoxazole-5-carboxamide
CAS Number14016-01-4
PubChem CID292278
IUPAC Name3-oxo-1,2-oxazole-5-carboxamide
Molecular FormulaC4H4N2O3
Molecular Weight128.09
XLogP-1.2
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity196
SMILES
C1=C(ONC1=O)C(=O)N
InChI
InChI=1S/C4H4N2O3/c5-4(8)2-1-3(7)6-9-2/h1H,(H2,5,8)(H,6,7)
InChIKey
VAXZHEOQJVBMQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyisoxazole-5-carboxamide
CAS: 14016-01-4
CID: 292278
Formula: C4H4N2O3
MW: 128.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.09
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass128.02219199
Monoisotopic Mass128.02219199
Topological Polar Surface Area81.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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