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Home > Nitro Compounds > 89862-04-4
89862-04-4 | Pyrrolidine, 1-[3-(6-methyl-5-nitro-2-pyridinyl)-1-oxo-2-propenyl]-
CAS No: 89862-04-4 Catalog No: AG003X1U MDL No:
Product Description
Catalog Number:
AG003X1U
Chemical Name:
Pyrrolidine, 1-[3-(6-methyl-5-nitro-2-pyridinyl)-1-oxo-2-propenyl]-
CAS Number:
89862-04-4
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
3-(6-methyl-5-nitropyridin-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C13H15N3O3/c1-10-12(16(18)19)6-4-11(14-10)5-7-13(17)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3
InChI Key:
ZDIMVOPNVZJRPT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)C=Cc1ccc(c(n1)C)[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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