Cas no 102934-61-2 (Tricosanedioic acid, 12-oxo-, dimethyl ester)
102934-61-2 structure
Product Name:Tricosanedioic acid, 12-oxo-, dimethyl ester
CAS No:102934-61-2
MF:C25H46O5
MW:426.629748821259
CID:1137299
PubChem ID:13418792
Update Time:2025-04-20
Tricosanedioic acid, 12-oxo-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tricosanedioic acid, 12-oxo-, dimethyl ester
- dimethyl 12-oxotricosanedioate
- 102934-61-2
- DTXSID20540216
-
- Inchi： 1S/C25H46O5/c1-29-24(27)21-17-13-9-5-3-7-11-15-19-23(26)20-16-12-8-4-6-10-14-18-22-25(28)30-2/h3-22H2,1-2H3
- InChI Key： BCYRKRVDJLVEAN-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCC(=O)OC)CCCCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 426.33468
- Monoisotopic Mass: 426.33452456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 24
- Complexity: 395
- 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: 7.4
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Tricosanedioic acid, 12-oxo-, dimethyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
102934-61-2 (Tricosanedioic acid, 12-oxo-, dimethyl ester) Related Products
- 2052-15-5(Butyl 4-oxopentanoate)
- 112-39-0(Methyl palmitate)
- 110-42-9(Methyl decanoate)
- 539-88-8(Ethyl levulinate)
- 627-91-8(Monomethyl adipate)
- 627-93-0(Dimethyl adipate)
- 1731-79-9(Dimethyl dodecanedioate)
- 1732-09-8(Dimethyl octanedioate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
- 624-45-3(Methyl levulinate)
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