4-Hydroxy-3-(3-oxobutyl)naphthalene-1,2-dione

Base Information

• Chemical Name: 4-Hydroxy-3-(3-oxobutyl)naphthalene-1,2-dione
• CAS No.: 64198-79-4
• Molecular Formula: C₁₄H₁₂O₄
• Molecular Weight: 244.247
• ChEMBL ID: CHEMBL260207
• DSSTox Substance ID: DTXSID30513895
• Nikkaji Number: J1.033.041F
• Wikidata: Q82373909
• Mol file: 64198-79-4.mol

Synonyms:4-hydroxy-3-(3-oxobutyl)naphthalene-1,2-dione;64198-79-4;CHEMBL260207;DTXSID30513895

Chemical Property of 4-Hydroxy-3-(3-oxobutyl)naphthalene-1,2-dione

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 433

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O