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Home > Nitro Compounds > 88181-75-3
88181-75-3 | Peroxide, 2-methyl-1-oxo-2-propenyl nitro
CAS No: 88181-75-3 Catalog No: AG004EVC MDL No:
Product Description
Catalog Number:
AG004EVC
Chemical Name:
Peroxide, 2-methyl-1-oxo-2-propenyl nitro
CAS Number:
88181-75-3
Molecular Formula:
C4H5NO5
Molecular Weight:
147.0862
IUPAC Name:
nitro 2-methylprop-2-eneperoxoate
InChI:
InChI=1S/C4H5NO5/c1-3(2)4(6)9-10-5(7)8/h1H2,2H3
InChI Key:
LLZWPQFQEBKRLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OOC(=O)C(=C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.086g/mol
Monoisotopic Mass:
147.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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