β-Benzalbutyric Acid

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Properties Simple | Detailed

Formula C11H12O2
IUPAC Name (e)-3-methyl-4-phenyl-but-3-enoic acid
Molecular Mass 176.212 g·mol−1
Heat of Formation -294.4 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 226.07 Å 3
Surface Area 216.31 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-methyl-4-phenyl-but-3-enoic acid
  • (e)-3-methyl-4-phenylbut-3-enoic acid
  • 3-methyl-4-phenyl-but-3-enoic acid
  • 3-methyl-4-phenylbut-3-enoic acid
InChIKey NGJLFMBOFBKYHK-VQHVLOKHSA-N
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Elements H C O