Cas no 61712-98-9 (2,4-Pentadien-1-one, 5-(4-methylphenyl)-1-phenyl-)
61712-98-9 structure
Product Name:2,4-Pentadien-1-one, 5-(4-methylphenyl)-1-phenyl-
CAS No:61712-98-9
MF:C18H16O
MW:248.319045066833
CID:468916
PubChem ID:71393031
Update Time:2025-04-19
2,4-Pentadien-1-one, 5-(4-methylphenyl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pentadien-1-one, 5-(4-methylphenyl)-1-phenyl-
- 5-(4-methylphenyl)-1-phenylpenta-2,4-dien-1-one
- DTXSID30814819
- 61712-98-9
-
- Inchi： 1S/C18H16O/c1-15-11-13-16(14-12-15)7-5-6-10-18(19)17-8-3-2-4-9-17/h2-14H,1H3
- InChI Key： BTAFHUXPKBPDCB-UHFFFAOYSA-N
- SMILES： O=C(C=CC=CC1C=CC(C)=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 248.12018
- Monoisotopic Mass: 248.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,4-Pentadien-1-one, 5-(4-methylphenyl)-1-phenyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
61712-98-9 (2,4-Pentadien-1-one, 5-(4-methylphenyl)-1-phenyl-) Related Products
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