Cas no 80460-13-5 (1,4-Hexanedione, 1,3-diphenyl-)
80460-13-5 structure
Product Name:1,4-Hexanedione, 1,3-diphenyl-
CAS No:80460-13-5
MF:C18H18O2
MW:266.334325313568
CID:705576
PubChem ID:12754753
Update Time:2025-04-19
1,4-Hexanedione, 1,3-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Hexanedione, 1,3-diphenyl-
- 1,3-diphenylhexane-1,4-dione
- 1,3-Diphenyl-hexane-1,4-dione
- 80460-13-5
- DTXSID80509001
- SCHEMBL435667
- ITGQJXIGMXQCJD-UHFFFAOYSA-N
-
- Inchi： 1S/C18H18O2/c1-2-17(19)16(14-9-5-3-6-10-14)13-18(20)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
- InChI Key： ITGQJXIGMXQCJD-UHFFFAOYSA-N
- SMILES： O=C(CC)C(C1C=CC=CC=1)CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 266.130679813g/mol
- Monoisotopic Mass: 266.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 322
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 34.1?2
1,4-Hexanedione, 1,3-diphenyl- Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
80460-13-5 (1,4-Hexanedione, 1,3-diphenyl-) Related Products
- 712-50-5(cyclohexyl(phenyl)methanone)
- 3481-02-5(Cyclopropyl phenyl ketone)
- 5407-98-7(Cyclobutyl phenyl ketone)
- 5422-88-8(Cyclopentyl phenyl ketone)
- 1533-20-6(1,3-Diphenyl-1-butanone)
- 16282-16-9(1,2-Diphenylbutan-1-one)
- 13211-01-3(1-1,1'-Biphenyl-4-yl-1-butanone)
- 1671-77-8(4’-Methylvalerophenone)
- 38675-79-5(4-tert-butylphenyl cyclopropyl ketone)
- 16819-79-7(2-Methyl-1-phenylbutan-1-one)
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