CAS
25322-68-3 Purity
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25322-68-3 Purity
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Specification
The molecular formula is C16H26O3.
The molecular weight is 266.38 g/mol.
The IUPAC name is 3-[(E)-dodec-2-enyl]oxolane-2,5-dione.
The InChI is InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+.
The canonical SMILES is CCCCCCCCCC=CCC1CC(=O)OC1=O.
The isomeric SMILES is CCCCCCCCC/C=C/CC1CC(=O)OC1=O.
The CAS number is 19780-11-1.
The UNII is S63TTA7G5P.
The XLogP3-AA value is 5.1.
The topological polar surface area is 43.4Ų.