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82490-04-8 | Urea, N,N'-dicyano-
CAS No: 82490-04-8 Catalog No: AG004VKU MDL No:
Product Description
Catalog Number:
AG004VKU
Chemical Name:
Urea, N,N'-dicyano-
CAS Number:
82490-04-8
Molecular Formula:
C3H2N4O
Molecular Weight:
110.0742
IUPAC Name:
1,3-dicyanourea
InChI:
InChI=1S/C3H2N4O/c4-1-6-3(8)7-2-5/h(H2,6,7,8)
InChI Key:
IGDVUCTVYWYQBS-UHFFFAOYSA-N
SMILES:
N#CNC(=O)NC#N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.023g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
110.076g/mol
Monoisotopic Mass:
110.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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