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Home > Nitro Compounds > 89862-05-5
89862-05-5 | Piperidine, 1-[3-(6-methyl-5-nitro-2-pyridinyl)-1-oxo-2-propenyl]-
CAS No: 89862-05-5 Catalog No: AG003XC9 MDL No:
Product Description
Catalog Number:
AG003XC9
Chemical Name:
Piperidine, 1-[3-(6-methyl-5-nitro-2-pyridinyl)-1-oxo-2-propenyl]-
CAS Number:
89862-05-5
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
3-(6-methyl-5-nitropyridin-2-yl)-1-piperidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C14H17N3O3/c1-11-13(17(19)20)7-5-12(15-11)6-8-14(18)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3
InChI Key:
MNJJUHFDQADASK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)C=Cc1ccc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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