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Home > Nitro Compounds > 99841-68-6
99841-68-6 | 3-Piperidinol, 1-(4-nitrophenyl)-
CAS No: 99841-68-6 Catalog No: AG003W1C MDL No:
Product Description
Catalog Number:
AG003W1C
Chemical Name:
3-Piperidinol, 1-(4-nitrophenyl)-
CAS Number:
99841-68-6
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
1-(4-nitrophenyl)piperidin-3-ol
InChI:
InChI=1S/C11H14N2O3/c14-11-2-1-7-12(8-11)9-3-5-10(6-4-9)13(15)16/h3-6,11,14H,1-2,7-8H2
InChI Key:
QZGBEKMQNFGXSX-UHFFFAOYSA-N
SMILES:
OC1CCCN(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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