2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4,7-dimethyl-

Base Information

• Chemical Name: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4,7-dimethyl-
• CAS No.: 650594-13-1
• Molecular Formula: C9H10O2
• Molecular Weight: 150.17400
• DSSTox Substance ID: DTXSID80434804
• Nikkaji Number: J1.178.580H
• Mol file: 650594-13-1.mol

Synonyms:650594-13-1;2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4,7-dimethyl-;SCHEMBL6212524;DTXSID80434804;2-Hydroxy-4,7-dimethyl-2,4,6-cycloheptatriene-1-one

Chemical Property of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4,7-dimethyl-

Chemical Property:

• PSA: 37.30000
• LogP: 1.36920
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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