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Home > Nitro Compounds > 27746-48-1
27746-48-1 | Peroxide, nitro 1-oxobutyl
CAS No: 27746-48-1 Catalog No: AG002UNA MDL No:
Product Description
Catalog Number:
AG002UNA
Chemical Name:
Peroxide, nitro 1-oxobutyl
CAS Number:
27746-48-1
Molecular Formula:
C4H7NO5
Molecular Weight:
149.1021
IUPAC Name:
nitro butaneperoxoate
InChI:
InChI=1S/C4H7NO5/c1-2-3-4(6)9-10-5(7)8/h2-3H2,1H3
InChI Key:
HZUMMZVMNQSPFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OOC(=O)CCC
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.102g/mol
Monoisotopic Mass:
149.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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