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Home > Nitro Compounds > 88466-66-4
88466-66-4 | Ethyne, dinitro-
CAS No: 88466-66-4 Catalog No: AG004BU5 MDL No:
Product Description
Catalog Number:
AG004BU5
Chemical Name:
Ethyne, dinitro-
CAS Number:
88466-66-4
Molecular Formula:
C2N2O4
Molecular Weight:
116.0324
IUPAC Name:
1,2-dinitroethyne
InChI:
InChI=1S/C2N2O4/c5-3(6)1-2-4(7)8
InChI Key:
XIDLKXHCKDAKCZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C#C[N+](=O)[O-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.986g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.032g/mol
Monoisotopic Mass:
115.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| En route to dinitroacetylene: nitro(trimethylsilyl)acetylene and nitroacetylene harnessed by dicobalt hexacarbonyl. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120521 |
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