3-Hydroxy-2,2-Bis(Hydroxymethyl)Propyl Nitrate

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Properties Simple | Detailed

Formula C5H11NO6
IUPAC Name [3-hydroxy-2,2-bis(hydroxymethyl)propyl] nitrate
Molecular Mass 181.144 g·mol−1
Heat of Formation -728.9 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 199.58 Å 3
Surface Area 190.45 Å 2
HOMO Energy -10.73 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, 2,2-bis(hydroxymethyl)-, 1-nitrate
  • nitric acid (3-hydroxy-2,2-dimethylol-propyl) ester
  • nitric acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester
  • pentaerythritol mononitrate
CAS Number(s)
  • 1607-00-7
InChIKey RHVYBZNTBGYKKV-UHFFFAOYSA-N
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