Cas no 13987-64-9 (Propanoic acid, 3,3'-oxybis[2,2-dimethyl-)
13987-64-9 structure
Product Name:Propanoic acid, 3,3'-oxybis[2,2-dimethyl-
CAS No:13987-64-9
MF:C10H18O5
MW:218.246923923492
CID:1281618
PubChem ID:18914684
Update Time:2025-04-20
Propanoic acid, 3,3'-oxybis[2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-carboxy-2-methylpropoxy)-2,2-dimethylpropanoic acid
- SCHEMBL8052693
- DTXSID00596433
- 13987-64-9
- 2,2'-[Oxybis(methylene)]bis(2-methylpropanoic acid)
- 2,2,6,6-tetramethyl-4-oxaheptanedioic acid
- Propanoic acid, 3,3'-oxybis[2,2-dimethyl-
-
- Inchi： 1S/C10H18O5/c1-9(2,7(11)12)5-15-6-10(3,4)8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
- InChI Key： RZMGIAXXDGGROO-UHFFFAOYSA-N
- SMILES： O(CC(C(=O)O)(C)C)CC(C(=O)O)(C)C
Computed Properties
- Exact Mass: 218.11542367g/mol
- Monoisotopic Mass: 218.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 229
- 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: 0.9
- Topological Polar Surface Area: 83.8?2
Propanoic acid, 3,3'-oxybis[2,2-dimethyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
13987-64-9 (Propanoic acid, 3,3'-oxybis[2,2-dimethyl-) Related Products
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