CAS
97635-27-3 Purity
96%
97635-27-3 Purity
96%
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Specification
The molecular formula is C18H36O4.
The molecular weight is 316.5 g/mol.
The IUPAC name is 3-(3-hydroxypropoxy)propyl dodecanoate.
The InChI is InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-13-18(20)22-17-12-16-21-15-11-14-19/h19H,2-17H2,1H3.
The InChIKey is CGGKBZSXQOLUNV-UHFFFAOYSA-N.
The Canonical SMILES is CCCCCCCCCCCC(=O)OCCCOCCCO.
The CAS number is 97635-32-0.
The XLogP3-AA value is 5.2.
There is 1 hydrogen bond donor count.
Yes, the compound is canonicalized.