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Home > Nitro Compounds > 77791-00-5
77791-00-5 | Propane,2-methyl-2-(2-nitroethoxy)-
CAS No: 77791-00-5 Catalog No: AG005F2O MDL No:
Product Description
Catalog Number:
AG005F2O
Chemical Name:
Propane,2-methyl-2-(2-nitroethoxy)-
CAS Number:
77791-00-5
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
2-methyl-2-(2-nitroethoxy)propane
InChI:
InChI=1S/C6H13NO3/c1-6(2,3)10-5-4-7(8)9/h4-5H2,1-3H3
InChI Key:
JQXURDVBNVDPPC-UHFFFAOYSA-N
SMILES:
CC(OCC[N+](=O)[O-])(C)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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