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14048-06-7 | Urea, N-(2,2-dicyanoethenyl)-
CAS No: 14048-06-7 Catalog No: AG001CID MDL No:
Product Description
Catalog Number:
AG001CID
Chemical Name:
Urea, N-(2,2-dicyanoethenyl)-
CAS Number:
14048-06-7
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
IUPAC Name:
2,2-dicyanoethenylurea
InChI:
InChI=1S/C5H4N4O/c6-1-4(2-7)3-9-5(8)10/h3H,(H3,8,9,10)
InChI Key:
CIHFOAZWXPCKSQ-UHFFFAOYSA-N
SMILES:
N#CC(=CNC(=O)N)C#N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
136.114g/mol
Monoisotopic Mass:
136.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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