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Home > Pyridines > 339097-06-2
339097-06-2 | (3E)-2-{6-[(2E)-1-cyano-2-(methoxyimino)ethyl]pyridazin-3-yl}-3-(methoxyimino)propanenitrile
CAS No: 339097-06-2 Catalog No: AG00IQWB MDL No:MFCD00663747
Product Description
Catalog Number:
AG00IQWB
Chemical Name:
(3E)-2-{6-[(2E)-1-cyano-2-(methoxyimino)ethyl]pyridazin-3-yl}-3-(methoxyimino)propanenitrile
CAS Number:
339097-06-2
Molecular Formula:
C12H12N6O2
Molecular Weight:
272.2627
MDL Number:
MFCD00663747
IUPAC Name:
(3E)-2-[6-[(2E)-1-cyano-2-methoxyiminoethyl]pyridazin-3-yl]-3-methoxyiminopropanenitrile
InChI:
InChI=1S/C12H12N6O2/c1-19-15-7-9(5-13)11-3-4-12(18-17-11)10(6-14)8-16-20-2/h3-4,7-10H,1-2H3/b15-7+,16-8+
InChI Key:
JVNHDTKAILAKJL-BGPOSVGRSA-N
SMILES:
CO/N=C/C(c1ccc(nn1)C(/C=N/OC)C#N)C#N
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
272.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.268g/mol
Monoisotopic Mass:
272.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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