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83453-98-9 | 2,2-Aziridinedicarboxamide
CAS No: 83453-98-9 Catalog No: AG004ROL MDL No:
Product Description
Catalog Number:
AG004ROL
Chemical Name:
2,2-Aziridinedicarboxamide
CAS Number:
83453-98-9
Molecular Formula:
C4H7N3O2
Molecular Weight:
129.1173
IUPAC Name:
aziridine-2,2-dicarboxamide
InChI:
InChI=1S/C4H7N3O2/c5-2(8)4(1-7-4)3(6)9/h7H,1H2,(H2,5,8)(H2,6,9)
InChI Key:
CIIBXEFQMLIBIK-UHFFFAOYSA-N
SMILES:
NC(=O)C1(NC1)C(=O)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
129.119g/mol
Monoisotopic Mass:
129.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
Literature
| Title | Journal |
|---|---|
| Pitfalls of data mining: triclinic polymorph of 2,2-aziridinedicarboxamide revisited. | Acta crystallographica. Section B, Structural science 20070201 |
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