Cyclohexanone,3-(1E,3E)-1,3-heptadienyl-5,6-dihydroxy-2-(hydroxymethyl)-,(2R,3S,5R,6R)-rel-


Chemical Name: Cyclohexanone,3-(1E,3E)-1,3-heptadienyl-5,6-dihydroxy-2-(hydroxymethyl)-,(2R,3S,5R,6R)-rel-
CAS Number: 15265-28-8
Product Number: AG00AKOW(AGN-PC-0Q6DMA)
Synonyms:
MDL No:
Molecular Formula: C14H22O4
Molecular Weight: 254.3221

Identification/Properties


Computed Properties
Molecular Weight:
254.326g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
254.152g/mol
Monoisotopic Mass:
254.152g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
322
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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