Cas no 33885-03-9 (Benzenepentanoic acid, d,d-diphenyl-)
33885-03-9 structure
Product Name:Benzenepentanoic acid, d,d-diphenyl-
CAS No:33885-03-9
MF:C23H22O2
MW:330.419586658478
CID:323167
PubChem ID:276708
Update Time:2025-04-19
Benzenepentanoic acid, d,d-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoic acid, d,d-diphenyl-
- 5,5,5-triphenyl-valeric acid
- 5,5,5-Triphenylpentanoicacid
- 5,5,5-Triphenyl-valeriansaeure
- 33885-03-9
- SCHEMBL16468009
- DTXSID40955469
- NSC-125035
- 5,5,5-triphenylpentanoic acid
- NSC125035
-
- Inchi： 1S/C23H22O2/c24-22(25)17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2,(H,24,25)
- InChI Key： MSIAYOAPKLPCMH-UHFFFAOYSA-N
- SMILES： OC(CCCC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 330.16200
- Monoisotopic Mass: 330.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 353
- 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: 5.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 5.27590
Benzenepentanoic acid, d,d-diphenyl- Related Literature
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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
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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