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Home > Nitro Compounds > 89862-06-6
89862-06-6 | Morpholine, 4-[3-(6-methyl-5-nitro-2-pyridinyl)-1-oxo-2-propenyl]-
CAS No: 89862-06-6 Catalog No: AG003XC8 MDL No:
Product Description
Catalog Number:
AG003XC8
Chemical Name:
Morpholine, 4-[3-(6-methyl-5-nitro-2-pyridinyl)-1-oxo-2-propenyl]-
CAS Number:
89862-06-6
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
IUPAC Name:
3-(6-methyl-5-nitropyridin-2-yl)-1-morpholin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C13H15N3O4/c1-10-12(16(18)19)4-2-11(14-10)3-5-13(17)15-6-8-20-9-7-15/h2-5H,6-9H2,1H3
InChI Key:
UWADKVQJBDQMAC-UHFFFAOYSA-N
SMILES:
O=C(N1CCOCC1)C=Cc1ccc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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