Seocalcitol

Cat. No.: PI134404527

Product Details Computed Properties

CAS	134404-52-7
Synonyms	1,3-Cyclohexanediol,5-[[1-(6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,[1R-[1α(1R,2E,4E),3aβ,4E(1R,3S*,5Z),7aα]]-
Molecular Formula	C30H46O3
Molecular Weight	454.68
Density	1.06±0.1 g/cm3
Melting Point	123-125°
Boiling Point	608.5±55.0 °C(Predicted)
pKa	14.29±0.29

XLogP3	5.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	454.34469533
Monoisotopic Mass	454.34469533
Heavy Atom Count	33
Complexity	812
Defined Atom Stereocenter Count	6
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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