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825615-89-2 | Hexacosen-1-ol, acetate
CAS No: 825615-89-2 Catalog No: AG004YOQ MDL No:
Product Description
Catalog Number:
AG004YOQ
Chemical Name:
Hexacosen-1-ol, acetate
CAS Number:
825615-89-2
Molecular Formula:
C28H56O3
Molecular Weight:
440.7424
IUPAC Name:
acetic acid;hexacos-1-en-1-ol
InChI:
InChI=1S/C26H52O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27;1-2(3)4/h25-27H,2-24H2,1H3;1H3,(H,3,4)
InChI Key:
LLOURCGVULHDQA-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCC=CO
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.423g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.753g/mol
Monoisotopic Mass:
440.423g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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