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82552-80-5 | 1,2,5-Oxadiazole, 3-(1-aziridinyl)-4-methyl-, 5-oxide
CAS No: 82552-80-5 Catalog No: AG00575U MDL No:
Product Description
Catalog Number:
AG00575U
Chemical Name:
1,2,5-Oxadiazole, 3-(1-aziridinyl)-4-methyl-, 5-oxide
CAS Number:
82552-80-5
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
IUPAC Name:
4-(aziridin-1-yl)-3-methyl-2-oxido-1,2,5-oxadiazol-2-ium
InChI:
InChI=1S/C5H7N3O2/c1-4-5(7-2-3-7)6-10-8(4)9/h2-3H2,1H3
InChI Key:
GGQWVLTZMXDQAY-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc(c1C)N1CC1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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