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13204-61-0 | Peroxide, diformyl
CAS No: 13204-61-0 Catalog No: AG00104H MDL No:
Product Description
Catalog Number:
AG00104H
Chemical Name:
Peroxide, diformyl
CAS Number:
13204-61-0
Molecular Formula:
C2H2O4
Molecular Weight:
90.0349
IUPAC Name:
formyloxy formate
InChI:
InChI=1S/C2H2O4/c3-1-5-6-2-4/h1-2H
InChI Key:
YOUYWVQGYBDAKE-UHFFFAOYSA-N
SMILES:
O=COOC=O
Properties
Complexity:
41.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
89.995g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.034g/mol
Monoisotopic Mass:
89.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Conformation-dependent state selectivity in O-O cleavage of ONOONO: an 'inorganic cope rearrangement' helps explain the observed negative activation energy in the oxidation of nitric oxide by dioxygen. | Journal of the American Chemical Society 20020814 |
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