Α-Cyano-4-Hydroxycinnamic Acid

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Properties Simple | Detailed

Formula C10H7NO3
IUPAC Name (e)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
Molecular Mass 189.167 g·mol−1
Heat of Formation -266.4 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 222.91 Å 3
Surface Area 214.07 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-cyano-3-(4-hydroxyphenyl)acrylic acid
  • (e)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
  • .alpha.-cyano-4-hydroxycinnamic acid
  • 2-cyano-3-(4-hydroxyphenyl)acrylic acid
  • 2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid
  • 2-propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-
  • 4-hcca
  • alpha-cca
  • alpha-cyano
  • alpha-cyano-4-hydroxycinnamic acid
  • bbv-032142
  • benzylidenemalononitrile (bmn) deriv. 34
CAS Number(s)
  • 28166-41-8
InChIKey AFVLVVWMAFSXCK-VMPITWQZSA-N
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