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71433-22-2 | 5-(tert-Butyl)isoxazole-3-carboxamide
CAS No: 71433-22-2 Catalog No: AG005ILB MDL No:MFCD16885707
Product Description
Catalog Number:
AG005ILB
Chemical Name:
5-(tert-Butyl)isoxazole-3-carboxamide
CAS Number:
71433-22-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD16885707
IUPAC Name:
5-tert-butyl-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C8H12N2O2/c1-8(2,3)6-4-5(7(9)11)10-12-6/h4H,1-3H3,(H2,9,11)
InChI Key:
COLGDTYRVFYBBG-UHFFFAOYSA-N
SMILES:
NC(=O)c1noc(c1)C(C)(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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