4-(2-Nitroethyl)Phenol

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Properties Simple | Detailed

Formula C8H9NO3
IUPAC Name 4-(2-nitroethyl)phenol
Molecular Mass 167.162 g·mol−1
Heat of Formation -169.6 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 200.1 Å 3
Surface Area 197.47 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1-aci-nitro-2-(p-hydroxyphenyl)ethane
  • 1-nitro-2-(4-hydroxyphenyl)ethane
  • phenol, 4-(2-nitroethyl)-
CAS Number(s)
  • 37567-58-1
InChIKey VUBNQBXWQVHBLU-UHFFFAOYSA-N
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