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Home > Nitro Compounds > 89367-76-0
89367-76-0 | Ethene, (2,2,2-trinitroethoxy)-
CAS No: 89367-76-0 Catalog No: AG003X4P MDL No:
Product Description
Catalog Number:
AG003X4P
Chemical Name:
Ethene, (2,2,2-trinitroethoxy)-
CAS Number:
89367-76-0
Molecular Formula:
C4H5N3O7
Molecular Weight:
207.0984
IUPAC Name:
2-ethenoxy-1,1,1-trinitroethane
InChI:
InChI=1S/C4H5N3O7/c1-2-14-3-4(5(8)9,6(10)11)7(12)13/h2H,1,3H2
InChI Key:
FMDCTTBVGVMQHL-UHFFFAOYSA-N
SMILES:
C=COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.098g/mol
Monoisotopic Mass:
207.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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