(4R)-4-(Hydroxymethyl)-4-Methyl-1-Phenyl-3-Pyrazolidinone

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Properties Simple | Detailed

Formula C11H14N2O2
IUPAC Name (1s,4r)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
Molecular Mass 206.241 g·mol−1
Heat of Formation -186.6 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 250.79 Å 3
Surface Area 229.41 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(hydroxymethyl)-4-methyl-1-phenyl-pyrazolidin-3-one
  • (4r)-4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
  • (4r)-4-methyl-4-methylol-1-phenyl-pyrazolidin-3-one
InChIKey DSVIHYOAKPVFEH-LLVKDONJSA-N
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