CAS
454185-98-9 Purity
97%
454185-98-9 Purity
97%
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Specification
The molecular formula is C8H13NO4.
The molecular weight is 187.19 g/mol.
The IUPAC name is ethyl 3-acetamido-2-oxobutanoate.
The InChI is InChI=1S/C8H13NO4/c1-4-13-8(12)7(11)5(2)9-6(3)10/h5H,4H2,1-3H3,(H,9,10).
The InChIKey is OHUHHIUQRHRGQK-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C(=O)C(C)NC(=O)C.
The XLogP3-AA value is 0.1.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.