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182176-42-7 | 1-Docosanol, 2-octadecyl-
CAS No: 182176-42-7 Catalog No: AG0023FT MDL No:
Product Description
Catalog Number:
AG0023FT
Chemical Name:
1-Docosanol, 2-octadecyl-
CAS Number:
182176-42-7
Molecular Formula:
C40H82O
Molecular Weight:
579.0785
IUPAC Name:
2-octadecyldocosan-1-ol
InChI:
InChI=1S/C40H82O/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40(39-41)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h40-41H,3-39H2,1-2H3
InChI Key:
CHPRNYDWAOQKSK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)CO
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.637g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
579.095g/mol
Monoisotopic Mass:
578.637g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
20
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