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Home > Nitro Compounds > 203509-89-1
203509-89-1 | [5-nitro-2-(piperidin-1-yl)phenyl]methanol
CAS No: 203509-89-1 Catalog No: AG00IXH5 MDL No:MFCD01312996
Product Description
Catalog Number:
AG00IXH5
Chemical Name:
[5-nitro-2-(piperidin-1-yl)phenyl]methanol
CAS Number:
203509-89-1
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD01312996
IUPAC Name:
(5-nitro-2-piperidin-1-ylphenyl)methanol
InChI:
InChI=1S/C12H16N2O3/c15-9-10-8-11(14(16)17)4-5-12(10)13-6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2
InChI Key:
HPJSQHAKICNAIY-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1N1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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