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Home > Nitro Compounds > 923176-68-5
923176-68-5 | 1-[5-(4-hydroxypiperidin-1-yl)-2-nitrophenyl]ethan-1-one
CAS No: 923176-68-5 Catalog No: AG00IQ0V MDL No:MFCD08064700
Product Description
Catalog Number:
AG00IQ0V
Chemical Name:
1-[5-(4-hydroxypiperidin-1-yl)-2-nitrophenyl]ethan-1-one
CAS Number:
923176-68-5
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD08064700
IUPAC Name:
1-[5-(4-hydroxypiperidin-1-yl)-2-nitrophenyl]ethanone
InChI:
InChI=1S/C13H16N2O4/c1-9(16)12-8-10(2-3-13(12)15(18)19)14-6-4-11(17)5-7-14/h2-3,8,11,17H,4-7H2,1H3
InChI Key:
FFKJSZFTLQBFOA-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)c1ccc(c(c1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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