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113715-26-7 | Ethanol, 2-(5-methyl-2,4-dinitrophenoxy)-
CAS No: 113715-26-7 Catalog No: AG0009GR MDL No:
Product Description
Catalog Number:
AG0009GR
Chemical Name:
Ethanol, 2-(5-methyl-2,4-dinitrophenoxy)-
CAS Number:
113715-26-7
Molecular Formula:
C9H10N2O6
Molecular Weight:
242.1855
IUPAC Name:
2-(5-methyl-2,4-dinitrophenoxy)ethanol
InChI:
InChI=1S/C9H10N2O6/c1-6-4-9(17-3-2-12)8(11(15)16)5-7(6)10(13)14/h4-5,12H,2-3H2,1H3
InChI Key:
NEBGWJQYKZVBOM-UHFFFAOYSA-N
SMILES:
OCCOc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.187g/mol
Monoisotopic Mass:
242.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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