13080-86-9 Purity
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Specification
The molecular formula of Isodecyl benzoate is C17H26O2.
The molecular weight of Isodecyl benzoate is 262.4 g/mol.
The IUPAC name of Isodecyl benzoate is 8-methylnonyl benzoate.
The InChI of Isodecyl benzoate is InChI=1S/C17H26O2/c1-15(2)11-7-4-3-5-10-14-19-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3.
The InChIKey of Isodecyl benzoate is HNDYULRADYGBDU-UHFFFAOYSA-N.
The canonical SMILES of Isodecyl benzoate is CC(C)CCCCCCCOC(=O)C1=CC=CC=C1.
The CAS number of Isodecyl benzoate is 120657-54-7.
The XLogP3 value of Isodecyl benzoate is 6.5.
The hydrogen bond donor count of Isodecyl benzoate is 0.
Yes, Isodecyl benzoate is a canonicalized compound according to PubChem.