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Home > Nitro Compounds > 29609-98-1
29609-98-1 | Ethanol, 2,2-dinitro-
CAS No: 29609-98-1 Catalog No: AG002YVN MDL No:
Product Description
Catalog Number:
AG002YVN
Chemical Name:
Ethanol, 2,2-dinitro-
CAS Number:
29609-98-1
Molecular Formula:
C2H4N2O5
Molecular Weight:
136.0636
IUPAC Name:
2,2-dinitroethanol
InChI:
InChI=1S/C2H4N2O5/c5-1-2(3(6)7)4(8)9/h2,5H,1H2
InChI Key:
CXLFPNPZGJXQPS-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.012g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.063g/mol
Monoisotopic Mass:
136.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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