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22986-71-6 | 21-Hentetracontanone
CAS No: 22986-71-6 Catalog No: AG002LSA MDL No:
Product Description
Catalog Number:
AG002LSA
Chemical Name:
21-Hentetracontanone
CAS Number:
22986-71-6
Molecular Formula:
C41H82O
Molecular Weight:
591.0892
IUPAC Name:
hentetracontan-21-one
InChI:
InChI=1S/C41H82O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41(42)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
InChI Key:
XUUNMIUGETUPHP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.637g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
591.106g/mol
Monoisotopic Mass:
590.637g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20
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