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166668-33-3 | 4,7,10,13-Tetraoxaheptadec-15-enoic acid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-
CAS No: 166668-33-3 Catalog No: AG001WVN MDL No:
Product Description
Catalog Number:
AG001WVN
Chemical Name:
4,7,10,13-Tetraoxaheptadec-15-enoic acid, 17-bromo-, 1,1-dimethylethyl ester, (15E)-
CAS Number:
166668-33-3
Molecular Formula:
C17H31BrO6
Molecular Weight:
411.3284
IUPAC Name:
tert-butyl 3-[2-[2-[2-(4-bromobut-2-enoxy)ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C17H31BrO6/c1-17(2,3)24-16(19)6-9-21-11-13-23-15-14-22-12-10-20-8-5-4-7-18/h4-5H,6-15H2,1-3H3
InChI Key:
ZCDCGWNGIROULA-UHFFFAOYSA-N
SMILES:
BrC/C=C/COCCOCCOCCOCCC(=O)OC(C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.333g/mol
Monoisotopic Mass:
410.13g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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