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18216-95-0 | 20-Tetracontanone, 21-hydroxy-
CAS No: 18216-95-0 Catalog No: AG0023F5 MDL No:
Product Description
Catalog Number:
AG0023F5
Chemical Name:
20-Tetracontanone, 21-hydroxy-
CAS Number:
18216-95-0
Molecular Formula:
C40H80O2
Molecular Weight:
593.0620
IUPAC Name:
21-hydroxytetracontan-20-one
InChI:
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41)40(42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39,41H,3-38H2,1-2H3
InChI Key:
FUXWJXFNCIATEB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCCC)O
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.616g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
593.078g/mol
Monoisotopic Mass:
592.616g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
18.7
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