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1274904-48-1 | 1,1,2-Ethanetricarbonitrile, 1-(cyanomethyl)-
CAS No: 1274904-48-1 Catalog No: AG000X4F MDL No:
Product Description
Catalog Number:
AG000X4F
Chemical Name:
1,1,2-Ethanetricarbonitrile, 1-(cyanomethyl)-
CAS Number:
1274904-48-1
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
IUPAC Name:
propane-1,2,2,3-tetracarbonitrile
InChI:
InChI=1S/C7H4N4/c8-3-1-7(5-10,6-11)2-4-9/h1-2H2
InChI Key:
RAFBXJGDOLMWDJ-UHFFFAOYSA-N
SMILES:
N#CC(CC#N)(CC#N)C#N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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