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Home > Nitro Compounds > 761440-22-6
761440-22-6 | 1-(3-Methoxy-4-nitrophenyl)piperidin-4-ol
CAS No: 761440-22-6 Catalog No: AG00G7C1 MDL No:MFCD09972244
Product Description
Catalog Number:
AG00G7C1
Chemical Name:
1-(3-Methoxy-4-nitrophenyl)piperidin-4-ol
CAS Number:
761440-22-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD09972244
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)piperidin-4-ol
InChI:
InChI=1S/C12H16N2O4/c1-18-12-8-9(2-3-11(12)14(16)17)13-6-4-10(15)5-7-13/h2-3,8,10,15H,4-7H2,1H3
InChI Key:
SNYOQELAUCYAKA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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