(3S)-1,3-Butanediol

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Properties Simple | Detailed

Formula C4H10O2
IUPAC Name (3s)-butane-1,3-diol
Molecular Mass 90.121 g·mol−1
Heat of Formation -455.5 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 123.74 Å 3
Surface Area 133.29 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 5.72 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-butane-1,3-diol
  • (s)-()-1,3-butanediol
  • bu2
InChIKey PUPZLCDOIYMWBV-BYPYZUCNSA-N
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Elements H C O