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1314959-75-5 | 3-methylisoxazole-4-carboxamide
CAS No: 1314959-75-5 Catalog No: AG01DV8Z MDL No:MFCD19207748
Product Description
Catalog Number:
AG01DV8Z
Chemical Name:
3-methylisoxazole-4-carboxamide
CAS Number:
1314959-75-5
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD19207748
IUPAC Name:
3-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C5H6N2O2/c1-3-4(5(6)8)2-9-7-3/h2H,1H3,(H2,6,8)
InChI Key:
AVSLCGYMISJJBT-UHFFFAOYSA-N
SMILES:
Cc1nocc1C(=O)N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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