CAS
95335-91-4 Purity
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95335-91-4 Purity
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The molecular formula is C17H18O5.
It was first created on 2009-09-25.
The IUPAC name is (3,4-dimethoxyphenyl) 2-(3-methoxyphenyl)acetate.
The InChI is InChI=1S/C17H18O5/c1-19-13-6-4-5-12(9-13)10-17(18)22-14-7-8-15(20-2)16(11-14)21-3/h4-9,11H,10H2,1-3H3.
The InChIKey is AIIMMPRHKNZUJA-UHFFFAOYSA-N.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 54Ų.
It has 7 rotatable bond counts.
The XLogP3-AA value is 3.2.
Yes, the compound is canonicalized.