4-Acetylbutyric acid - CAS 3128-06-1

Catalog: BB020857
Product Name: 4-Acetylbutyric acid
CAS: 3128-06-1
Synonyms: 5-oxohexanoic acid
4-Acetylbutyric acid
IUPAC Name:5-oxohexanoic acid
Description:4-Acetylbutyric acid (CAS# 3128-06-1) is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of CAStrate-resistant prostate cancer. Also used to prepare PARP inhibitors for the treatment of cancer as well.
Molecular Weight:130.14
Molecular Formula:C6H10O3
Canonical SMILES:CC(=O)CCCC(=O)O
InChI:InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChI Key:MGTZCLMLSSAXLD-UHFFFAOYSA-N
Boiling Point:274-275 ℃
Melting Point:13-14 ℃
Purity:95 %
Density:1.09 g/cm3
Appearance:Colorless to dark yellow liquid
MDL:MFCD00004412
LogP:0.83030

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