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Home > Nitro Compounds > 28659-20-3
28659-20-3 | 2H-Pyran, tetrahydro-2-(3-nitrophenoxy)-
CAS No: 28659-20-3 Catalog No: AG002W0N MDL No:
Product Description
Catalog Number:
AG002W0N
Chemical Name:
2H-Pyran, tetrahydro-2-(3-nitrophenoxy)-
CAS Number:
28659-20-3
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
2-(3-nitrophenoxy)oxane
InChI:
InChI=1S/C11H13NO4/c13-12(14)9-4-3-5-10(8-9)16-11-6-1-2-7-15-11/h3-5,8,11H,1-2,6-7H2
InChI Key:
HFVCSRUCFXZPPX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OC1CCCCO1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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