Cas no 52205-74-0 (Phenol, 4,4',4''-ethylidynetris-, triacetate)
52205-74-0 structure
Product Name:Phenol, 4,4',4''-ethylidynetris-, triacetate
CAS No:52205-74-0
MF:C26H30O9
MW:486.511008739471
CID:360189
PubChem ID:71365740
Update Time:2025-04-19
Phenol, 4,4',4''-ethylidynetris-, triacetate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4,4',4''-ethylidynetris-, triacetate
- acetic acid,4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
- DTXSID50789136
- Acetic acid--4,4',4''-(ethane-1,1,1-triyl)triphenol (3/1)
- 52205-74-0
-
- Inchi： 1S/C20H18O3.3C2H4O2/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;3*1-2(3)4/h2-13,21-23H,1H3;3*1H3,(H,3,4)
- InChI Key： BNIAIPZMUYAEGW-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)(C1C=CC(=CC=1)O)C1C=CC(=CC=1)O.OC(C)=O.OC(C)=O.OC(C)=O
Computed Properties
- Exact Mass: 486.189
- Monoisotopic Mass: 486.18898253g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 335
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 173?2
Experimental Properties
- PSA: 172.59
Phenol, 4,4',4''-ethylidynetris-, triacetate Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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