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Home > Nitro Compounds > 69053-67-4
69053-67-4 | Oxirane, [(4-methyl-2,3-dinitrophenoxy)methyl]-
CAS No: 69053-67-4 Catalog No: AG005LS9 MDL No:
Product Description
Catalog Number:
AG005LS9
Chemical Name:
Oxirane, [(4-methyl-2,3-dinitrophenoxy)methyl]-
CAS Number:
69053-67-4
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
IUPAC Name:
2-[(4-methyl-2,3-dinitrophenoxy)methyl]oxirane
InChI:
InChI=1S/C10H10N2O6/c1-6-2-3-8(18-5-7-4-17-7)10(12(15)16)9(6)11(13)14/h2-3,7H,4-5H2,1H3
InChI Key:
XQRIIZNTOKFIBU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(OCC2CO2)ccc(c1[N+](=O)[O-])C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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