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75914-61-3 | 3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE
CAS No: 75914-61-3 Catalog No: AG00GPUX MDL No:
Product Description
Catalog Number:
AG00GPUX
Chemical Name:
3-(1,1-DIMETHYLETHYL)-5(4H)-ISOXAZOLONE
CAS Number:
75914-61-3
IUPAC Name:
3-tert-butyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C7H11NO2/c1-7(2,3)5-4-6(9)10-8-5/h4H2,1-3H3
InChI Key:
NXPNBKNROINPPF-UHFFFAOYSA-N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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