Cas no 74528-53-3 (1,3-Cyclohexanedione,4-(3,4-dimethoxyphenyl)-)
74528-53-3 structure
Product Name:1,3-Cyclohexanedione,4-(3,4-dimethoxyphenyl)-
CAS No:74528-53-3
MF:C14H16O4
MW:248.274444580078
CID:556873
PubChem ID:12620421
Update Time:2025-04-19
1,3-Cyclohexanedione,4-(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione,4-(3,4-dimethoxyphenyl)-
- 4-(3,4-DIMETHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE
- 4-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
- DTXSID00504593
- 4,6,7-Trihydroxyisoflavone
- 4-(3,4-Dimethoxy-phenyl)cyclohexane-1,3-dione
- 74528-53-3
-
- Inchi： 1S/C14H16O4/c1-17-13-6-3-9(7-14(13)18-2)11-5-4-10(15)8-12(11)16/h3,6-7,11H,4-5,8H2,1-2H3
- InChI Key： ASYTWWXTCSYMME-UHFFFAOYSA-N
- SMILES： O=C1CC(CCC1C1C=CC(=C(C=1)OC)OC)=O
Computed Properties
- Exact Mass: 248.10500
- Monoisotopic Mass: 248.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 326
- 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: 1.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 2.10950
1,3-Cyclohexanedione,4-(3,4-dimethoxyphenyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
74528-53-3 (1,3-Cyclohexanedione,4-(3,4-dimethoxyphenyl)-) Related Products
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