Allylestrenol

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Properties Simple | Detailed

Formula C21H32O
IUPAC Name (8s,9r,10s,13r,14s,17r)-17-allyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 300.478 g·mol−1
Heat of Formation -307.3 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 403.61 Å 3
Surface Area 328.95 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
InChIKey ATXHVCQZZJYMCF-RDWCLUPISA-N
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Elements H C O