2-(3,3-Dinitropropyl)Phenol

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Properties Simple | Detailed

Formula C9H10N2O5
IUPAC Name 2-(3,3-dinitropropyl)phenol
Molecular Mass 226.186 g·mol−1
Heat of Formation -162.7 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 252.61 Å 3
Surface Area 234.52 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • dinitropropylphenol
  • phenol, dinitropropyl-
CAS Number(s)
  • 51053-33-9
InChIKey YLIPAWHGPCUKFA-UHFFFAOYSA-N
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