CAS
90102-86-6 Purity
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90102-86-6 Purity
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Specification
The molecular formula is C8H17NO2.
The molecular weight is 159.23 g/mol.
The IUPAC name is methyl 2-amino-2,4-dimethylpentanoate.
The InChI is InChI=1S/C8H17NO2/c1-6(2)5-8(3,9)7(10)11-4/h6H,5,9H2,1-4H3.
The InChIKey is KGYSWVMSQARZEB-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)CC(C)(C(=O)OC)N.
The XLogP3-AA value is 1.1.
There is 1 hydrogen bond donor count.
The topological polar surface area is 52.3 Ų.
Yes, it is a canonicalized compound.