928709-93-7 Purity
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Specification
The molecular formula of Asischem c71513 is C11H17NO2.
Asischem c71513 was created on November 13, 2007, and last modified on December 30, 2023.
The IUPAC name of Asischem c71513 is 2,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid.
The InChI of Asischem c71513 is InChI=1S/C11H17NO2/c1-7(2)6-12-8(3)5-10(9(12)4)11(13)14/h5,7H,6H2,1-4H3,(H,13,14).
The InChIKey of Asischem c71513 is ACULMKMABIDQIU-UHFFFAOYSA-N.
The Canonical SMILES of Asischem c71513 is CC1=CC(=C(N1CC(C)C)C)C(=O)O.
The molecular weight of Asischem c71513 is 195.26 g/mol.
The XLogP3-AA value of Asischem c71513 is 2.3.
Asischem c71513 has 2 hydrogen bond acceptors.
Yes, the compound of Asischem c71513 is canonicalized.