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Home > Nitro Compounds > 79421-42-4
79421-42-4 | 1,4-Dioxa-8-azaspiro[4.5]decane, 8-(4-nitrophenyl)-
CAS No: 79421-42-4 Catalog No: AG008M6J MDL No:
Product Description
Catalog Number:
AG008M6J
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane, 8-(4-nitrophenyl)-
CAS Number:
79421-42-4
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
8-(4-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C13H16N2O4/c16-15(17)12-3-1-11(2-4-12)14-7-5-13(6-8-14)18-9-10-19-13/h1-4H,5-10H2
InChI Key:
SHLUSCRJQRVCSR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCCO2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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