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113777-00-7 | 2-Aziridinone, 1-(1,1-dimethylethyl)-
CAS No: 113777-00-7 Catalog No: AG0009NK MDL No:
Product Description
Catalog Number:
AG0009NK
Chemical Name:
2-Aziridinone, 1-(1,1-dimethylethyl)-
CAS Number:
113777-00-7
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
1-tert-butylaziridin-2-one
InChI:
InChI=1S/C6H11NO/c1-6(2,3)7-4-5(7)8/h4H2,1-3H3
InChI Key:
VFNOTCGFIRRFAQ-UHFFFAOYSA-N
SMILES:
CC(N1CC1=O)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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