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1003-02-7 | 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxanonatetracontan-1-ol
CAS No: 1003-02-7 Catalog No: AG0001HY MDL No:
Product Description
Catalog Number:
AG0001HY
Chemical Name:
3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxanonatetracontan-1-ol
CAS Number:
1003-02-7
Molecular Formula:
C37H76O13
Molecular Weight:
728.9915
IUPAC Name:
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C37H76O13/c1-2-3-4-5-6-7-8-9-10-11-12-14-39-16-18-41-20-22-43-24-26-45-28-30-47-32-34-49-36-37-50-35-33-48-31-29-46-27-25-44-23-21-42-19-17-40-15-13-38/h38H,2-37H2,1H3
InChI Key:
VQRLKTXIIUMPIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
728.529g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
729.002g/mol
Monoisotopic Mass:
728.529g/mol
Rotatable Bond Count:
47
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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