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Home > Nitro Compounds > 1409764-52-8
1409764-52-8 | 1-(4-nitro-3-propoxyphenyl)piperidin-4-ol
CAS No: 1409764-52-8 Catalog No: AG01BE9J MDL No:MFCD28064027
Product Description
Catalog Number:
AG01BE9J
Chemical Name:
1-(4-nitro-3-propoxyphenyl)piperidin-4-ol
CAS Number:
1409764-52-8
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
MDL Number:
MFCD28064027
IUPAC Name:
1-(4-nitro-3-propoxyphenyl)piperidin-4-ol
InChI:
InChI=1S/C14H20N2O4/c1-2-9-20-14-10-11(3-4-13(14)16(18)19)15-7-5-12(17)6-8-15/h3-4,10,12,17H,2,5-9H2,1H3
InChI Key:
GNRWRWGFIYMFLT-UHFFFAOYSA-N
SMILES:
CCCOc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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