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Home > Pyridines > 113525-73-8
113525-73-8 | 1-Propene-1,1,3-tricarbonitrile, 3-(6-methyl-2(1H)-pyridinylidene)-, (E)- (9CI)
CAS No: 113525-73-8 Catalog No: AG0008WL MDL No:
Product Description
Catalog Number:
AG0008WL
Chemical Name:
1-Propene-1,1,3-tricarbonitrile, 3-(6-methyl-2(1H)-pyridinylidene)-, (E)- (9CI)
CAS Number:
113525-73-8
Molecular Formula:
C12H8N4
Molecular Weight:
208.2187
IUPAC Name:
3-(6-methyl-1H-pyridin-2-ylidene)prop-1-ene-1,1,3-tricarbonitrile
InChI:
InChI=1S/C12H8N4/c1-9-3-2-4-12(16-9)11(8-15)5-10(6-13)7-14/h2-5,16H,1H3
InChI Key:
NOKYUXLHSRHXAJ-UHFFFAOYSA-N
SMILES:
N#C/C(=c/1\cccc([nH]1)C)/C=C(C#N)C#N
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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