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18283-43-7 | Pentanediamide, 2-cyano-
CAS No: 18283-43-7 Catalog No: AG00246K MDL No:
Product Description
Catalog Number:
AG00246K
Chemical Name:
Pentanediamide, 2-cyano-
CAS Number:
18283-43-7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
IUPAC Name:
2-cyanopentanediamide
InChI:
InChI=1S/C6H9N3O2/c7-3-4(6(9)11)1-2-5(8)10/h4H,1-2H2,(H2,8,10)(H2,9,11)
InChI Key:
OEHZJTODUAJYIU-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)N)CCC(=O)N
NSC Number:
80749
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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