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Home > Nitro Compounds > 7570-26-5
7570-26-5 | 1,2-Dinitroethane
CAS No: 7570-26-5 Catalog No: AG00G7G3 MDL No:
Product Description
Catalog Number:
AG00G7G3
Chemical Name:
1,2-Dinitroethane
CAS Number:
7570-26-5
IUPAC Name:
1,2-dinitroethane
InChI:
InChI=1S/C2H4N2O4/c5-3(6)1-2-4(7)8/h1-2H2
InChI Key:
UXGRXJVMQSSUGS-UHFFFAOYSA-N
Properties
Complexity:
85.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.017g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.064g/mol
Monoisotopic Mass:
120.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Is there a general rule for the gauche effect in the conformational isomerism of 1,2-disubstituted ethanes? | The journal of physical chemistry. A 20070802 |
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