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Home > Nitro Compounds > 1410204-92-0
1410204-92-0 | 3-Piperidinemethanol, 1-(3-methoxy-4-nitrophenyl)-
CAS No: 1410204-92-0 Catalog No: AG001FQS MDL No:MFCD18996024
Product Description
Catalog Number:
AG001FQS
Chemical Name:
3-Piperidinemethanol, 1-(3-methoxy-4-nitrophenyl)-
CAS Number:
1410204-92-0
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD18996024
IUPAC Name:
[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]methanol
InChI:
InChI=1S/C13H18N2O4/c1-19-13-7-11(4-5-12(13)15(17)18)14-6-2-3-10(8-14)9-16/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChI Key:
KLZBHGIOBJSYKD-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)c1ccc(c(c1)OC)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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