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133123-67-8 | 1H-Imidazole-4,5-dicarbonitrile, 1-ethyl-
CAS No: 133123-67-8 Catalog No: AG00HSSP MDL No:MFCD06762788
Product Description
Catalog Number:
AG00HSSP
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 1-ethyl-
CAS Number:
133123-67-8
Molecular Formula:
C7H6N4
Molecular Weight:
146.1493
MDL Number:
MFCD06762788
IUPAC Name:
1-ethylimidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C7H6N4/c1-2-11-5-10-6(3-8)7(11)4-9/h5H,2H2,1H3
InChI Key:
RAFSTXGDSLCINC-UHFFFAOYSA-N
SMILES:
CCn1cnc(c1C#N)C#N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.153g/mol
Monoisotopic Mass:
146.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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