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Home > Nitro Compounds > 148760-46-7
148760-46-7 | 4-(2-(4-NITRO-1-OXY-PYRIDIN-3-YL)-VINYL)-MORPHOLINE
CAS No: 148760-46-7 Catalog No: AG01APZD MDL No:MFCD00225568
Product Description
Catalog Number:
AG01APZD
Chemical Name:
4-(2-(4-NITRO-1-OXY-PYRIDIN-3-YL)-VINYL)-MORPHOLINE
CAS Number:
148760-46-7
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD00225568
IUPAC Name:
4-[(E)-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenyl]morpholine
InChI:
InChI=1S/C11H13N3O4/c15-13-4-2-11(14(16)17)10(9-13)1-3-12-5-7-18-8-6-12/h1-4,9H,5-8H2/b3-1+
InChI Key:
KKNGLZRTKCBOAI-HNQUOIGGSA-N
SMILES:
[O-][n+]1ccc(c(c1)C=CN1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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