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Home > Nitro Compounds > 898289-39-9
898289-39-9 | 2H-Pyran, tetrahydro-4-(2-nitrophenoxy)-
CAS No: 898289-39-9 Catalog No: AG003Z2E MDL No:
Product Description
Catalog Number:
AG003Z2E
Chemical Name:
2H-Pyran, tetrahydro-4-(2-nitrophenoxy)-
CAS Number:
898289-39-9
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
4-(2-nitrophenoxy)oxane
InChI:
InChI=1S/C11H13NO4/c13-12(14)10-3-1-2-4-11(10)16-9-5-7-15-8-6-9/h1-4,9H,5-8H2
InChI Key:
LMVJVEROXTWODY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OC1CCOCC1
Properties
Complexity:
235
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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