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54593-30-5 | 3-Isoxazolecarboxamide,5-(methylthio)-(9CI)
CAS No: 54593-30-5 Catalog No: AG00DZA9 MDL No:
Product Description
Catalog Number:
AG00DZA9
Chemical Name:
3-Isoxazolecarboxamide,5-(methylthio)-(9CI)
CAS Number:
54593-30-5
IUPAC Name:
5-methylsulfanyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C5H6N2O2S/c1-10-4-2-3(5(6)8)7-9-4/h2H,1H3,(H2,6,8)
InChI Key:
UJWYZCQEAPSIHV-UHFFFAOYSA-N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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