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Home > Nitro Compounds > 70558-96-2
70558-96-2 | Piperidine, 1-[2-(5-nitro-2-furanyl)ethenyl]-
CAS No: 70558-96-2 Catalog No: AG005I1D MDL No:
Product Description
Catalog Number:
AG005I1D
Chemical Name:
Piperidine, 1-[2-(5-nitro-2-furanyl)ethenyl]-
CAS Number:
70558-96-2
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
InChI:
InChI=1S/C11H14N2O3/c14-13(15)11-5-4-10(16-11)6-9-12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
InChI Key:
MWQLQWFDFNQTHI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C=CN1CCCCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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