{4-[(4R)-3-Methyl-5-Oxo-4-Phenyl-4,5-Dihydro-1H-Pyrazol-1-Yl]Phenyl}Acetic Acid

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Properties Simple | Detailed

Formula C18H16N2O3
IUPAC Name 2-[4-[(4r)-3-methyl-5-oxo-4-phenyl-4h-pyrazol-1-yl]phenyl]acetic acid
Molecular Mass 308.331 g·mol−1
Heat of Formation -221.6 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 365.36 Å 3
Surface Area 328.66 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-carboxymethylphenyl)-4-phenyl-5-methyl-2,4-dihydropyrazol-3-one
  • 2-[4-[(4r)-3-methyl-5-oxo-4-phenyl-4h-pyrazol-1-yl]phenyl]acetic acid
  • 2-[4-[(4r)-3-methyl-5-oxo-4-phenyl-4h-pyrazol-1-yl]phenyl]ethanoic acid
  • 2-[4-[(4r)-5-keto-3-methyl-4-phenyl-4h-pyrazol-1-yl]phenyl]acetic acid
  • benzeneacetic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-phenyl-1h-pyrazol-1-yl)-, (r*,r*)-(-)-
  • mg 18949
  • mg-18949
CAS Number(s)
  • 90614-63-4
InChIKey RVFWSUARIUQWER-KRWDZBQOSA-N
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