Cas no 20797-54-0 (bis(4-ethoxyphenyl)acetic acid)
20797-54-0 structure
Product Name:bis(4-ethoxyphenyl)acetic acid
CAS No:20797-54-0
MF:C18H20O4
MW:300.349005699158
CID:1396247
PubChem ID:177146
Update Time:2025-04-20
bis(4-ethoxyphenyl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- bis(4-ethoxyphenyl)acetic acid
- 20797-54-0
- Acetic acid, bis(p-ethoxyphenyl)-
- DTXSID00943004
-
- Inchi： 1S/C18H20O4/c1-3-21-15-9-5-13(6-10-15)17(18(19)20)14-7-11-16(12-8-14)22-4-2/h5-12,17H,3-4H2,1-2H3,(H,19,20)
- InChI Key： KOMYOLBFTGPPOP-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1)C(C(=O)O)C1C=CC(=CC=1)OCC
Computed Properties
- Exact Mass: 300.1362
- Monoisotopic Mass: 300.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 302
- 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: 3.9
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
bis(4-ethoxyphenyl)acetic acid Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
20797-54-0 (bis(4-ethoxyphenyl)acetic acid) Related Products
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