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10006-34-5 | 30,38,41-Heptapentacontatrien-16-ol
CAS No: 10006-34-5 Catalog No: AG0000SS MDL No:
Product Description
Catalog Number:
AG0000SS
Chemical Name:
30,38,41-Heptapentacontatrien-16-ol
CAS Number:
10006-34-5
Molecular Formula:
C57H110O
Molecular Weight:
811.4827
IUPAC Name:
heptapentaconta-30,38,41-trien-16-ol
InChI:
InChI=1S/C57H110O/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-57(58)55-53-51-49-47-45-43-16-14-12-10-8-6-4-2/h24-25,27-28,35-36,57-58H,3-23,26,29-34,37-56H2,1-2H3
InChI Key:
NDYOYBFSCIYGLQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=CCC=CCCCCCCC=CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)O
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
810.856g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
811.506g/mol
Monoisotopic Mass:
810.856g/mol
Rotatable Bond Count:
51
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
26.6
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