(3-Hydroxy-4-Nitrobenzylidene)Malononitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C10H5N3O3
IUPAC Name 2-[(3-hydroxy-4-nitro-phenyl)methylene]propanedinitrile
Molecular Mass 215.165 g·mol−1
Heat of Formation 212.8 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 239.59 Å 3
Surface Area 230.54 Å 2
HOMO Energy -10.41 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-hydroxy-4-nitro-benzylidene)malononitrile
  • 2-[(3-hydroxy-4-nitro-phenyl)methylidene]propanedinitrile
  • 2-[(3-hydroxy-4-nitrophenyl)methylene]propanedinitrile
  • 2-[(3-hydroxy-4-nitrophenyl)methylidene]propanedinitrile
  • ag 126
  • ag 127
  • ag-126
  • ag-127
  • alpha-cyano-(3-hydroxy-4-nitro)cinnamonitrile
  • benzylidenemalononitrile (bmn) deriv. 10
  • bio2_000438
  • bio2_000918
  • biomolki2_000034
  • biomolki_000026
  • hsci1_000134
  • propanedinitrile, ((3-hydroxy-4-nitrophenyl)methylene)-
  • tyrphostin ag- 126
  • tyrphostin ag127
CAS Number(s)
  • 118409-62-4
InChIKey DUQADSPERJRQBW-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N