12,14-Dichloroabieta-8(14),9(11),12-Trien-18-Oic Acid

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Properties Simple | Detailed

Formula C20H26Cl2O2
IUPAC Name (1r,4as,10ar)-6,8-dichloro-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Mass 369.325 g·mol−1
Heat of Formation -592.4 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 426.54 Å 3
Surface Area 341.74 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,10ar)-6,8-dichloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • (1r,4as,10ar)-6,8-dichloro-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
  • 12,14-dichlorodehydroabietic acid
CAS Number(s)
  • 65281-77-8
InChIKey RKQWIQSTFSBVMQ-CDHQVMDDSA-N
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Elements H C O Cl