Cas no 104594-94-7 (3-(3,4-dimethylphenyl)-4-phenylfuran-2,5-dione)
104594-94-7 structure
Product Name:3-(3,4-dimethylphenyl)-4-phenylfuran-2,5-dione
CAS No:104594-94-7
MF:C18H14O3
MW:278.301965236664
CID:1144829
PubChem ID:13782516
Update Time:2025-04-20
3-(3,4-dimethylphenyl)-4-phenylfuran-2,5-dione Chemical and Physical Properties
Names and Identifiers
-
- 3-(3,4-dimethylphenyl)-4-phenylfuran-2,5-dione
- DTXSID20549340
- 104594-94-7
- SCHEMBL9665390
-
- Inchi： 1S/C18H14O3/c1-11-8-9-14(10-12(11)2)16-15(17(19)21-18(16)20)13-6-4-3-5-7-13/h3-10H,1-2H3
- InChI Key： WXRICMHPIMEPHT-UHFFFAOYSA-N
- SMILES： O1C(C(C2C=CC=CC=2)=C(C1=O)C1=CC=C(C)C(C)=C1)=O
Computed Properties
- Exact Mass: 278.09432
- Monoisotopic Mass: 278.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 471
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
- LogP: 3.29760
3-(3,4-dimethylphenyl)-4-phenylfuran-2,5-dione Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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