(13Cis)-O~15~-Methyl-7,8-Dihydroretinoic Acid

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name methyl (2z,4e,6e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoate
Molecular Mass 316.478 g·mol−1
Heat of Formation -410.8 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 439.59 Å 3
Surface Area 387.28 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4e,6e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6-trienoic acid methyl ester
  • 13-cis-7,8-dihydroretinoic acid methyl ester
  • methyl (2z,4e,6e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6-trienoate
  • methyl 7,8-dihydroretinoate
  • retinoic acid, 7,8-dihydro-, methyl ester, 13-cis-
CAS Number(s)
  • 51077-51-1
InChIKey OAURFXFNOLEVQH-IAEFYPGOSA-N
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