CAS
97174-79-3 Purity
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97174-79-3 Purity
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Specification
The molecular formula is C8H11NO.
It was created on 2007-02-08 and modified on 2023-12-30.
The IUPAC name is 1-(3-ethyl-1H-pyrrol-2-yl)ethanone.
The InChI is InChI=1S/C8H11NO/c1-3-7-4-5-9-8(7)6(2)10/h4-5,9H,3H2,1-2H3.
The InChIKey is RFPLKKYZQFEKCR-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=C(NC=C1)C(=O)C.
The molecular weight is 137.18 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 32.9 Ų.
Yes, the compound is canonicalized.