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113702-17-3 | 2-Aziridinone, 3-(1-methylethyl)-
CAS No: 113702-17-3 Catalog No: AG0009EP MDL No:
Product Description
Catalog Number:
AG0009EP
Chemical Name:
2-Aziridinone, 3-(1-methylethyl)-
CAS Number:
113702-17-3
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
3-propan-2-ylaziridin-2-one
InChI:
InChI=1S/C5H9NO/c1-3(2)4-5(7)6-4/h3-4H,1-2H3,(H,6,7)
InChI Key:
LWVZSXKZCSCUIQ-UHFFFAOYSA-N
SMILES:
CC(C1NC1=O)C
Properties
Complexity:
98.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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