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Home > Nitro Compounds > 88177-16-6
88177-16-6 | 1,4,8,11-Tetraoxadispiro[4.1.4.2]tridecane, 6-methyl-6-(2-nitroethyl)-
CAS No: 88177-16-6 Catalog No: AG004CMP MDL No:
Product Description
Catalog Number:
AG004CMP
Chemical Name:
1,4,8,11-Tetraoxadispiro[4.1.4.2]tridecane, 6-methyl-6-(2-nitroethyl)-
CAS Number:
88177-16-6
Molecular Formula:
C12H19NO6
Molecular Weight:
273.2824
IUPAC Name:
6-methyl-6-(2-nitroethyl)-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane
InChI:
InChI=1S/C12H19NO6/c1-10(4-5-13(14)15)11(16-6-7-17-11)2-3-12(10)18-8-9-19-12/h2-9H2,1H3
InChI Key:
IHADEBUIHXLJAO-UHFFFAOYSA-N
SMILES:
CC1(CC[N+](=O)[O-])C2(CCC31OCCO3)OCCO2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.285g/mol
Monoisotopic Mass:
273.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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