CAS
920274-04-0 Purity
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920274-04-0 Purity
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Specification
The molecular formula is C13H13NO2.
The molecular weight is 215.25 g/mol.
The IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)benzoic acid.
The InChI is InChI=1S/C13H13NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h3-8H,1-2H3,(H,15,16).
The InChIKey is ZLYUUANOICYAAL-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
The topological polar surface area is 42.2 Ų.
Yes, the compound is canonicalized.
The exact mass is 215.094628657 g/mol.
It has 2 rotatable bond counts.