3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione

Base Information

• Chemical Name: 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione
• CAS No.: 180918-46-1
• Molecular Formula: C15H16O3
• NSC Number: 102531
• DSSTox Substance ID: DTXSID10295521
• Nikkaji Number: J857.532K
• Wikidata: Q82035481
• ChEMBL ID: CHEMBL3092108
• Mol file: 180918-46-1.mol

Synonyms:3-(2,2-dimethylpropyl)-4-hydroxynaphthalene-1,2-dione;180918-46-1;NSC102531;SCHEMBL8459314;CHEMBL3092108;DTXSID10295521;CYGFOOBBDNUOKQ-UHFFFAOYSA-N;NSC-102531;2-(2.2-dimethylpropyl)-3-hydroxy-naphthalene-1 4-dione

Chemical Property of 3-(2,2-Dimethylpropyl)-4-hydroxynaphthalene-1,2-dione

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.109944368
• Heavy Atom Count: 18
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O