Ethyl 3-acetamido-2-oxobutanoate

HCID 22245807CAS 454426-80-3
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Basic information

Standard SMILES
CCOC(=O)C(=O)C(C)NC(C)=O
InChIKey
OHUHHIUQRHRGQK-UHFFFAOYSA-N
Molecular formula
C8H13NO4
Average molar mass
187.19 g/mol
Monoisotopic mass
187.0844579

Names & identifiers

Preferred name
Ethyl 3-acetamido-2-oxobutanoate
IUPAC
ethyl 3-acetamido-2-oxobutanoate
English name
Butanoic acid, 3-(acetylamino)-2-oxo-, ethyl ester
Molecular formula
C8H13NO4
Molecular weight
187.19

Names & synonyms

454426-80-3Ethyl 3-acetamido-2-oxobutanoateButanoic acid, 3-(acetylamino)-2-oxo-, ethyl esterVardenafil Impurity 4SCHEMBL1513956DTXSID90623808OHUHHIUQRHRGQK-UHFFFAOYSA-Nethyl 3-(acetylamino)-2-oxobutanoate

Database identifiers

CAS
454426-80-3
PubChem CID
22245807
DTXSID
DTXSID90623808

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
72.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
13

Physicochemical properties

Boiling point
344.6 · 344.6±25.0 °C(Predicted)
Density
1.117 · 1.117±0.06 g/cm3(Predicted)
pka
14.28 · 14.28±0.46(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers1 total

CHEMSTEP[email protected]

Related reactions

16 records
New reaction record

Linked notes

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