Cas no 4372-37-6 (Propanedioic acid, dioctyl-)
Propanedioic acid, dioctyl- structure
Product Name:Propanedioic acid, dioctyl-
CAS No:4372-37-6
MF:C19H36O4
MW:328.486746788025
CID:1515850
PubChem ID:20451975
Update Time:2025-04-21
Propanedioic acid, dioctyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, dioctyl-
- 2,2-dioctylpropanedioic acid
- DIOCTYLPROPANEDIOIC ACID
- DTXSID60607332
- SCHEMBL5860216
- 4372-37-6
-
- Inchi： 1S/C19H36O4/c1-3-5-7-9-11-13-15-19(17(20)21,18(22)23)16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,20,21)(H,22,23)
- InChI Key： GURXRQCPXPXHDR-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(CCCCCCCC)CCCCCCCC)=O
Computed Properties
- Exact Mass: 328.26148
- Monoisotopic Mass: 328.26135963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 293
- 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: 7.6
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Propanedioic acid, dioctyl- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
4372-37-6 (Propanedioic acid, dioctyl-) Related Products
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