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113850-41-2 | 5,8,11,14,17,21,24,27-Octaoxahentriacontan-19-ol
CAS No: 113850-41-2 Catalog No: AG0009WW MDL No:
Product Description
Catalog Number:
AG0009WW
Chemical Name:
5,8,11,14,17,21,24,27-Octaoxahentriacontan-19-ol
CAS Number:
113850-41-2
Molecular Formula:
C23H48O9
Molecular Weight:
468.6218
IUPAC Name:
1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
InChI:
InChI=1S/C23H48O9/c1-3-5-7-25-9-11-27-13-14-28-15-16-30-18-20-32-22-23(24)21-31-19-17-29-12-10-26-8-6-4-2/h23-24H,3-22H2,1-2H3
InChI Key:
PGPFNPWFSQKQDU-UHFFFAOYSA-N
SMILES:
CCCCOCCOCCOCCOCCOCC(COCCOCCOCCCC)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.33g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.628g/mol
Monoisotopic Mass:
468.33g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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