(9Z,12E)-12-Nitro-9,12-Octadecadienoic Acid

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Properties Simple | Detailed

Formula C18H31NO4
IUPAC Name (9z,12e)-12-nitrooctadeca-9,12-dienoic acid
Molecular Mass 325.443 g·mol−1
Heat of Formation -592.0 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 444.37 Å 3
Surface Area 416.32 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (9z,12z)-12-nitrooctadeca-9,12-dienoic acid
  • 12-nitro-9z,12z-octadecadienoate
  • 12-nitro-9z,12z-octadecadienoic acid
  • lmfa01120002
InChIKey ZYFTUIURWQWFKQ-QIAGQCQHSA-N
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