3-{5-[(1Z)-2-Nitro-1-Penten-1-Yl]-2-Furyl}Benzoic Acid

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Properties Simple | Detailed

Formula C16H15NO5
IUPAC Name 3-[5-[(z)-2-nitropent-1-enyl]-2-furyl]benzoic acid
Molecular Mass 301.294 g·mol−1
Heat of Formation 1915.8 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 349.91 Å 3
Surface Area 332.03 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[5-[(z)-2-nitropent-1-enyl]-2-furyl]benzoic acid
  • 3-[5-[(z)-2-nitropent-1-enyl]furan-2-yl]benzoic acid
InChIKey IRHZCQDCMUWUKV-RAXLEYEMSA-N
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