Cas no 70364-29-3 (1,4-Benzenedipropanoic acid, diethyl ester)
70364-29-3 structure
Product Name:1,4-Benzenedipropanoic acid, diethyl ester
CAS No:70364-29-3
MF:C16H22O4
MW:278.343485355377
CID:547356
PubChem ID:12169277
Update Time:2025-04-19
1,4-Benzenedipropanoic acid, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedipropanoic acid, diethyl ester
- 3-[4-(2-ETHOXYCARBONYL-ETHYL)-PHENYL]-PROPIONIC ACID ETHYL ESTER
- 1,4-bis(2-ethoxycarbonylethyl)benzene
- 3,3'-(1,4-phenylene)bis(ethyl propionate)
- 3,3'-p-Phenylen-di-propionsaeure-diaethylester
- 3,3'-p-phenylene-di-propionic acid diethyl ester
- 3-[4-(2-ETHOXYCARBONYL-ETHYL)-PHENYL]-PROPANOIC ACID ETHYL ESTER
- AG-G-74738
- bis-ethyl[1,4-phenylene]-bis(3-propanoate)
- CTK2H4990
- diet
- SureCN68902
- diethyl 3,3'-benzene-1,4-diyldipropanoate
- ETHYL 3-[4-(3-ETHOXY-3-OXOPROPYL)PHENYL]PROPANOATE
- Diethyl 3,3'-(1,4-phenylene)dipropanoate
- SCHEMBL68902
- DTXSID90479084
- 70364-29-3
-
- Inchi： 1S/C16H22O4/c1-3-19-15(17)11-9-13-5-7-14(8-6-13)10-12-16(18)20-4-2/h5-8H,3-4,9-12H2,1-2H3
- InChI Key： JNHDBDUHFFWMRE-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC1C=CC(=CC=1)CCC(=O)OCC)=O
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 263
- 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: 52.6?2
Experimental Properties
- PSA: 52.6
1,4-Benzenedipropanoic acid, diethyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
70364-29-3 (1,4-Benzenedipropanoic acid, diethyl ester) Related Products
- 10031-93-3(Benzenebutanoic Acid Ethyl Ester)
- 122-72-5(3-Phenylpropyl acetate)
- 101689-18-3(Methyl 7-phenylheptanoate)
- 2021-28-5(Ethyl 3-phenylpropionate)
- 20620-59-1(Methyl 5-Phenylpentanoate)
- 103-52-6(Phenethyl butyrate)
- 17071-29-3(ethyl 3-oxo-5-phenylpentanoate)
- 2046-17-5(Methyl 4-Phenylbutyrate)
- 103-25-3(Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester))
- 104750-61-0(Ethyl 3-(o-tolyl)propanoate)
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