Cas no 112147-71-4 (1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione)
112147-71-4 structure
Product Name:1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione
CAS No:112147-71-4
MF:C28H38O4
MW:438.598928928375
CID:2608131
PubChem ID:71336134
Update Time:2025-04-21
1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione Chemical and Physical Properties
Names and Identifiers
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- 1,16-bis(4-hydroxyphenyl)hexadecane-1,16-dione
- DTXSID30763994
- 112147-71-4
-
- Inchi: 1S/C28H38O4/c29-25-19-15-23(16-20-25)27(31)13-11-9-7-5-3-1-2-4-6-8-10-12-14-28(32)24-17-21-26(30)22-18-24/h15-22,29-30H,1-14H2
- InChI Key: XBKLUHSKFUPQSQ-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC(=CC=1)O)CCCCCCCCCCCCCCC(C1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 438.27700969Da
- Monoisotopic Mass: 438.27700969Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 17
- Complexity: 456
- 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: 8.3
- Topological Polar Surface Area: 74.6?2
1,16-bis(4-hydroxyphenyl)hexadecane-1,16-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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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