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Home > Nitro Compounds > 138783-47-8
138783-47-8 | Piperidine, 1-[1-(4-methoxyphenyl)-2-nitroethyl]-
CAS No: 138783-47-8 Catalog No: AG0019KA MDL No:
Product Description
Catalog Number:
AG0019KA
Chemical Name:
Piperidine, 1-[1-(4-methoxyphenyl)-2-nitroethyl]-
CAS Number:
138783-47-8
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
IUPAC Name:
1-[1-(4-methoxyphenyl)-2-nitroethyl]piperidine
InChI:
InChI=1S/C14H20N2O3/c1-19-13-7-5-12(6-8-13)14(11-16(17)18)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
InChI Key:
AKNYLLXZWBJOEF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(N1CCCCC1)C[N+](=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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