1723-70-2 Purity
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Specification
The molecular formula of Dmab-OH is C20H27NO3.
The molecular weight of Dmab-OH is 329.4 g/mol.
The IUPAC name of Dmab-OH is 3-hydroxy-2-[N-[4-(hydroxymethyl)phenyl]-C-(2-methylpropyl)carbonimidoyl]-5,5-dimethylcyclohex-2-en-1-one.
The InChI of Dmab-OH is InChI=1S/C20H27NO3/c1-13(2)9-16(21-15-7-5-14(12-22)6-8-15)19-17(23)10-20(3,4)11-18(19)24/h5-8,13,22-23H,9-12H2,1-4H3.
The InChIKey of Dmab-OH is UKAQNIKHOWTQFY-UHFFFAOYSA-N.
The canonical SMILES of Dmab-OH is CC(C)CC(=NC1=CC=C(C=C1)CO)C2=C(CC(CC2=O)(C)C)O.
The CAS number for Dmab-OH is 172611-73-3.
The XLogP3-AA value for Dmab-OH is 3.2.
Dmab-OH has 2 hydrogen bond donor counts.
Yes, the compound is canonicalized.