CAS
93840-73-4 Purity
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93840-73-4 Purity
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Specification
The molecular formula is C12H22O.
The synonyms are 93840-78-9, EINECS 298-944-3, and NSC 26524.
The molecular weight is 182.30 g/mol.
It was created on September 6, 2005.
The IUPAC name is (E)-5,9-dimethyldec-2-enal.
The InChI is InChI=1S/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,10-12H,6-9H2,1-3H3/b5-4+.
The InChIKey is ROXNDLMMXXKEMM-SNAWJCMRSA-N.
The canonical SMILES is CC(C)CCCC(C)CC=CC=O.
The isomeric SMILES is CC(C)CCCC(C)C/C=C/C=O.
The XLogP3-AA value is 4.2.