Cas no 52597-53-2 (1,1'-(4,6-Dihydroxy-1,3-phenylene)bis(3-phenylpropane-1,3-dione))
52597-53-2 structure
Product Name:1,1'-(4,6-Dihydroxy-1,3-phenylene)bis(3-phenylpropane-1,3-dione)
CAS No:52597-53-2
MF:C24H18O6
MW:402.396127223969
CID:2830346
PubChem ID:13382172
Update Time:2025-04-21
1,1'-(4,6-Dihydroxy-1,3-phenylene)bis(3-phenylpropane-1,3-dione) Chemical and Physical Properties
Names and Identifiers
-
- DTXSID00538893
- CHEMBL2430053
- 52597-53-2
- 1,1'-(4,6-Dihydroxy-1,3-phenylene)bis(3-phenylpropane-1,3-dione)
-
- Inchi： 1S/C24H18O6/c25-19(15-7-3-1-4-8-15)12-21(27)17-11-18(24(30)14-23(17)29)22(28)13-20(26)16-9-5-2-6-10-16/h1-11,14,29-30H,12-13H2
- InChI Key： ACULOALQGPYYBW-UHFFFAOYSA-N
- SMILES： OC1C=C(C(C(CC(C2C=CC=CC=2)=O)=O)=CC=1C(CC(C1C=CC=CC=1)=O)=O)O
Computed Properties
- Exact Mass: 402.11033829Da
- Monoisotopic Mass: 402.11033829Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 590
- 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: 4.7
- Topological Polar Surface Area: 109?2
1,1'-(4,6-Dihydroxy-1,3-phenylene)bis(3-phenylpropane-1,3-dione) Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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