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Home > Nitro Compounds > 89449-87-6
89449-87-6 | Butane, 1-[1-(2-nitroethoxy)ethoxy]-
CAS No: 89449-87-6 Catalog No: AG004345 MDL No:
Product Description
Catalog Number:
AG004345
Chemical Name:
Butane, 1-[1-(2-nitroethoxy)ethoxy]-
CAS Number:
89449-87-6
Molecular Formula:
C8H17NO4
Molecular Weight:
191.2249
IUPAC Name:
1-[1-(2-nitroethoxy)ethoxy]butane
InChI:
InChI=1S/C8H17NO4/c1-3-4-6-12-8(2)13-7-5-9(10)11/h8H,3-7H2,1-2H3
InChI Key:
JKJWENDREAJBTJ-UHFFFAOYSA-N
SMILES:
CCCCOC(OCC[N+](=O)[O-])C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.227g/mol
Monoisotopic Mass:
191.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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