CAS
98953-13-0 Purity
96%
98953-13-0 Purity
96%
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Specification
The molecular formula is C9H12OS.
It was created on September 10, 2005.
The IUPAC name is 5-butylthiophene-2-carbaldehyde.
The InChI is InChI=1S/C9H12OS/c1-2-3-4-8-5-6-9(7-10)11-8/h5-7H,2-4H2,1H3.
The molecular weight is 168.26 g/mol.
It has 2 hydrogen bond acceptors.
The topological polar surface area is 45.3 ?2.
It has 4 rotatable bond counts.
Yes, the compound is canonicalized.
The XLogP3-AA value is 3.1.