Tolcapone

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Properties Simple | Detailed

Formula C14H11NO5
IUPAC Name (3,4-dihydroxy-5-nitro-phenyl)-(p-tolyl)methanone
Molecular Mass 273.241 g·mol−1
Heat of Formation 1670.5 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 285.11 Å 3
Surface Area 265.63 Å 2
Point Group Symmetry C1
Synonyms
  • (3,4-dihydroxy-5-nitro-phenyl)-(4-methylphenyl)methanone
  • (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
  • (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone
  • 3,4-dihydroxy-4'-methyl-5-nitrobenzophenone
  • c07949
  • ccris 7904
  • d00786
  • inchi=1/c14h11no5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18h,1h
  • ls-91226
  • methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-
  • ro 40-7592
  • ro-40-7592
  • tasmar
  • tasmar (tn)
  • tolcapone
  • tolcapone (jan/usan/inn)
  • tolcapone [usan:inn]
CAS Number(s)
  • 134308-13-7
InChIKey MIQPIUSUKVNLNT-UHFFFAOYSA-N
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