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1122-01-6 | 5-tert-butyl-isoxazole
CAS No: 1122-01-6 Catalog No: AG0093VE MDL No:
Product Description
Catalog Number:
AG0093VE
Chemical Name:
5-tert-butyl-isoxazole
CAS Number:
1122-01-6
IUPAC Name:
5-tert-butyl-1,2-oxazole
InChI:
InChI=1S/C7H11NO/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3
InChI Key:
GOYSWVUGDCGCPI-UHFFFAOYSA-N
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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