(-)-Crassinervic Acid

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Properties Simple | Detailed

Formula C17H22O5
IUPAC Name 4-hydroxy-3-[(3s)-3-hydroxy-3,7-dimethyl-oct-6-enoyl]benzoic acid
Molecular Mass 306.354 g·mol−1
Heat of Formation -944.6 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 375.38 Å 3
Surface Area 304.1 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey YHANYRDRFGGDNZ-KRWDZBQOSA-N
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Elements H C O