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117342-83-3 | Propanedinitrile, 2-(tetrahydro-4,6-dioxo-2(1H)-pyrimidinylidene)-
CAS No: 117342-83-3 Catalog No: AG000E5P MDL No:MFCD05665976
Product Description
Catalog Number:
AG000E5P
Chemical Name:
Propanedinitrile, 2-(tetrahydro-4,6-dioxo-2(1H)-pyrimidinylidene)-
CAS Number:
117342-83-3
Molecular Formula:
C7H4N4O2
Molecular Weight:
176.1323
MDL Number:
MFCD05665976
IUPAC Name:
2-(4,6-dioxo-1,3-diazinan-2-ylidene)propanedinitrile
InChI:
InChI=1S/C7H4N4O2/c8-2-4(3-9)7-10-5(12)1-6(13)11-7/h1H2,(H,10,12)(H,11,13)
InChI Key:
OVIVBDZFPQQIIG-UHFFFAOYSA-N
SMILES:
N#CC(=C1NC(=O)CC(=O)N1)C#N
NSC Number:
625236
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.135g/mol
Monoisotopic Mass:
176.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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