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Home > Nitro Compounds > 761440-57-7
761440-57-7 | [1-(3-Methoxy-4-nitro-phenyl)-piperidin-4-yl]-Methanol
CAS No: 761440-57-7 Catalog No: AG00G7CU MDL No:MFCD19175038
Product Description
Catalog Number:
AG00G7CU
Chemical Name:
[1-(3-Methoxy-4-nitro-phenyl)-piperidin-4-yl]-Methanol
CAS Number:
761440-57-7
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD19175038
IUPAC Name:
[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]methanol
InChI:
InChI=1S/C13H18N2O4/c1-19-13-8-11(2-3-12(13)15(17)18)14-6-4-10(9-16)5-7-14/h2-3,8,10,16H,4-7,9H2,1H3
InChI Key:
LHOUEXISFKGKEG-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccc(c(c1)OC)[N+](=O)[O-]
Properties
Complexity:
300
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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