CAS
155613-98-2 Purity
96%
155613-98-2 Purity
96%
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Specification
The molecular formula is C18H28O3.
The molecular weight is 292.4 g/mol.
Some synonyms include 4-(Undecyloxy)benzoic acid and 4-undecoxybenzoic acid.
The IUPAC name is 4-undecoxybenzoic acid.
The InChI is InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h11-14H,2-10,15H2,1H3,(H,19,20).
The InChIKey is NEJZHJHZOUISSH-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
The XLogP3 value is 6.6.
It has 12 rotatable bond counts.
Yes, the compound is canonicalized.