Cas no 89654-16-0 (Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester)
89654-16-0 structure
Product Name:Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester
CAS No:89654-16-0
MF:C19H18O5
MW:326.343225955963
CID:593259
PubChem ID:13221705
Update Time:2025-04-19
Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester
- methyl 4-[3-(4-methoxycarbonylphenyl)-2-oxopropyl]benzoate
- DTXSID60529469
- 89654-16-0
- Dimethyl 4,4'-(2-oxopropane-1,3-diyl)dibenzoate
- SCHEMBL20259350
-
- Inchi： 1S/C19H18O5/c1-23-18(21)15-7-3-13(4-8-15)11-17(20)12-14-5-9-16(10-6-14)19(22)24-2/h3-10H,11-12H2,1-2H3
- InChI Key： HXOOAHXMJNMDMK-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC(C(=O)OC)=CC=1)CC1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 326.11542367g/mol
- Monoisotopic Mass: 326.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 403
- 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: 2.8
- Topological Polar Surface Area: 69.7?2
Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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
89654-16-0 (Benzoic acid, 4,4'-(2-oxo-1,3-propanediyl)bis-, dimethyl ester) Related Products
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