1-(2-Hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione

• CAS: 29976-82-7
• Catalog Number: ACM29976827
• Category: Other Products
• Molecular Weight: 254.285g/mol
• Molecular Formula: C16H14O3
• Synonyms: DS-11578; I14-46254; 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione; SR-01000209761-1; ZINC100015384; Oprea1_306488; DTXSID80353081; AC1Q5DEM; 1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione, 97%; KS-00000LRU
• IUPAC Name: 1-(2-hydroxy-5-methylphenyl)-3-phenylpropane-1,3-dione
• Canonical SMILES: CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=CC=C2
• InChI: InChI=1S/C16H14O3/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
• InChI Key: OKAQJPKEOQHKKY-UHFFFAOYSA-N
• Complexity: 331
• Covalently-Bonded Unit Count: 1
• Exact Mass: 254.094g/mol
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 254.094g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 54.4A^2