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1487-82-7 | Propanedinitrile, 2,2'-(2,5-dimethyl-2,5-cyclohexadiene-1,4-diylidene)bis-
CAS No: 1487-82-7 Catalog No: AG001L4O MDL No:MFCD00130123
Product Description
Catalog Number:
AG001L4O
Chemical Name:
Propanedinitrile, 2,2'-(2,5-dimethyl-2,5-cyclohexadiene-1,4-diylidene)bis-
CAS Number:
1487-82-7
Molecular Formula:
C14H8N4
Molecular Weight:
232.2401
MDL Number:
MFCD00130123
IUPAC Name:
2-[4-(dicyanomethylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]propanedinitrile
InChI:
InChI=1S/C14H8N4/c1-9-3-14(12(7-17)8-18)10(2)4-13(9)11(5-15)6-16/h3-4H,1-2H3
InChI Key:
DFJXWQJAMNCPII-UHFFFAOYSA-N
SMILES:
N#CC(=c1cc(C)c(=C(C#N)C#N)cc1C)C#N
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.246g/mol
Monoisotopic Mass:
232.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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