928708-23-0 Purity
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Specification
The molecular formula of Asischem d29225 is C16H17NO3.
Asischem d29225 was created on 2007-11-13 and last modified on 2023-12-30.
The IUPAC Name of Asischem d29225 is methyl 2-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetate.
The Canonical SMILES of Asischem d29225 is CC1=CC(=C(N1C2=CC=C(C=C2)CC(=O)OC)C)C=O.
The InChIKey of Asischem d29225 is HXANJYAVBOKAHI-UHFFFAOYSA-N.
The molecular weight of Asischem d29225 is 271.31 g/mol.
The XLogP3-AA value of Asischem d29225 is 2.4.
Asischem d29225 has 3 hydrogen bond acceptors.
Asischem d29225 has 5 rotatable bonds.
Yes, the compound of Asischem d29225 is canonicalized.