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Home > Nitro Compounds > 80645-16-5
80645-16-5 | Piperidine, 1-[2-(6-nitro-1,3-benzodioxol-5-yl)ethyl]-
CAS No: 80645-16-5 Catalog No: AG0058XD MDL No:
Product Description
Catalog Number:
AG0058XD
Chemical Name:
Piperidine, 1-[2-(6-nitro-1,3-benzodioxol-5-yl)ethyl]-
CAS Number:
80645-16-5
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
1-[2-(6-nitro-1,3-benzodioxol-5-yl)ethyl]piperidine
InChI:
InChI=1S/C14H18N2O4/c17-16(18)12-9-14-13(19-10-20-14)8-11(12)4-7-15-5-2-1-3-6-15/h8-9H,1-7,10H2
InChI Key:
QGLXSDNHBRQLOP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1CCN1CCCCC1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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