2-(4-Sulfophenyl)Butanoate

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Properties Simple | Detailed

Formula C10H14O5S
IUPAC Name (2z)-2-(4-sulfocyclohexa-2,4-dien-1-ylidene)butanoic acid
Molecular Mass 246.280 g·mol−1
Heat of Formation -787.9 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 266.74 Å 3
Surface Area 246.68 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
InChIKey UBOLIQIJRBLRGQ-SECBINFHSA-N
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