Cas no 5435-10-9 (Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI))
5435-10-9 structure
Product Name:Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI)
CAS No:5435-10-9
MF:C20H22O4
MW:326.386286258698
CID:385043
PubChem ID:225604
Update Time:2025-04-19
Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI)
- NSC15177; AC1L5E5R; AC1Q63XG; CTK5A0592; AR-1H1614; NSC-15177; AG-K-11699; Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI);
- NSC15177
- NSC-15177
- 5435-10-9
- DTXSID90280051
-
- Inchi： 1S/C20H22O4/c1-2-24-20(23)18(16-11-7-4-8-12-16)14-13-17(19(21)22)15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3,(H,21,22)
- InChI Key： YWIURNVQWWVGGL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C1C=CC=CC=1)CCC(C(=O)O)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 326.15186
- Monoisotopic Mass: 326.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
- LogP: 3.98190
Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI) Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
5435-10-9 (Hexanedioic acid, 2,5-diphenyl-, monoethylester (9CI)) Related Products
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- 24817-51-4(FEMA 3632)
- 2294-71-5(Methyl 2-phenylbutanoate)
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- 101278-21-1(Dihydro-3,4-diphenyl-2,5-furandione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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