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85672-82-8 | 1H,3H-3a,7a-Ethanoisobenzofuran-1,3-dione, 8-hexadecyltetrahydro-
CAS No: 85672-82-8 Catalog No: AG0050IF MDL No:
Product Description
Catalog Number:
AG0050IF
Chemical Name:
1H,3H-3a,7a-Ethanoisobenzofuran-1,3-dione, 8-hexadecyltetrahydro-
CAS Number:
85672-82-8
Molecular Formula:
C26H44O3
Molecular Weight:
404.6258
IUPAC Name:
2-hexadecan-8-yl-8-oxatricyclo[4.3.2.01,6]undecane-7,9-dione
InChI:
InChI=1S/C26H44O3/c1-3-5-7-9-11-13-16-21(15-12-10-8-6-4-2)22-17-14-18-25-19-20-26(22,25)24(28)29-23(25)27/h21-22H,3-20H2,1-2H3
InChI Key:
RAMMFNZLTMNFKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C1CCCC23C1(CC2)C(=O)OC3=O)CCCCCCC
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.329g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.635g/mol
Monoisotopic Mass:
404.329g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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