CAS
153034-88-9 Purity
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153034-88-9 Purity
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Specification
The molecular formula is C10H15NO3.
The molecular weight is 197.23 g/mol.
The IUPAC name is 2-(2,5-dimethoxyanilino)ethanol.
The InChI is InChI=1S/C10H15NO3/c1-13-8-3-4-10(14-2)9(7-8)11-5-6-12/h3-4,7,11-12H,5-6H2,1-2H3.
The InChIKey is HXVDGJWIQNKTFN-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC(=C(C=C1)OC)NCCO.
There are 2 hydrogen bond donor counts.
There are 4 hydrogen bond acceptor counts.
The topological polar surface area is 50.7 Ų.
Yes, the compound is canonicalized.