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Home > Nitro Compounds > 119559-31-8
119559-31-8 | 3,5-Pyridinedicarbonitrile, 1,4-dihydro-1,2,6-trimethyl-4-(3-nitrophenyl)-
CAS No: 119559-31-8 Catalog No: AG000IYA MDL No:
Product Description
Catalog Number:
AG000IYA
Chemical Name:
3,5-Pyridinedicarbonitrile, 1,4-dihydro-1,2,6-trimethyl-4-(3-nitrophenyl)-
CAS Number:
119559-31-8
Molecular Formula:
C16H14N4O2
Molecular Weight:
294.3080
IUPAC Name:
1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C16H14N4O2/c1-10-14(8-17)16(15(9-18)11(2)19(10)3)12-5-4-6-13(7-12)20(21)22/h4-7,16H,1-3H3
InChI Key:
UAXJDHKLFQIJLS-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)N(C(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)C)C
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.314g/mol
Monoisotopic Mass:
294.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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