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89862-00-0 | 2-Propenamide, N,N-diethyl-3-(6-methyl-5-nitro-2-pyridinyl)-
CAS No: 89862-00-0 Catalog No: AG003WQP MDL No:
Product Description
Catalog Number:
AG003WQP
Chemical Name:
2-Propenamide, N,N-diethyl-3-(6-methyl-5-nitro-2-pyridinyl)-
CAS Number:
89862-00-0
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
N,N-diethyl-3-(6-methyl-5-nitropyridin-2-yl)prop-2-enamide
InChI:
InChI=1S/C13H17N3O3/c1-4-15(5-2)13(17)9-7-11-6-8-12(16(18)19)10(3)14-11/h6-9H,4-5H2,1-3H3
InChI Key:
QONZQWMGYKPFMQ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C=Cc1ccc(c(n1)C)[N+](=O)[O-])CC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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