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89032-77-9 | Isoxazole-5-carboxamide
CAS No: 89032-77-9 Catalog No: AG0043CZ MDL No:MFCD00276986
Product Description
Catalog Number:
AG0043CZ
Chemical Name:
Isoxazole-5-carboxamide
CAS Number:
89032-77-9
Molecular Formula:
C4H4N2O2
Molecular Weight:
112.0868
MDL Number:
MFCD00276986
IUPAC Name:
1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
InChI Key:
DSIBSRXKQRYPJP-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccno1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.027g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.088g/mol
Monoisotopic Mass:
112.027g/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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