Cas no 73083-42-8 (1,3-Dioxolane-2-carboxylicacid, 2,4,5-trimethyl-, [4S-(2a,4a,5b)]- (9CI))
![1,3-Dioxolane-2-carboxylicacid, 2,4,5-trimethyl-, [4S-(2a,4a,5b)]- (9CI) structure](https://ossimg.kuujia.com/scimg/73500/73083-42-8x500.png)
73083-42-8 structure
Product Name:1,3-Dioxolane-2-carboxylicacid, 2,4,5-trimethyl-, [4S-(2a,4a,5b)]- (9CI)
CAS No:73083-42-8
MF:C7H12O4
MW:160.167782783508
CID:551610
PubChem ID:45084980
Update Time:2025-04-19
1,3-Dioxolane-2-carboxylicacid, 2,4,5-trimethyl-, [4S-(2a,4a,5b)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-2-carboxylicacid, 2,4,5-trimethyl-, [4S-(2a,4a,5b)]- (9CI)
- 1,3-Dioxolane-2-carboxylicacid,2,4,5-trimethyl-,[4S-(2alpha,4alpha,5beta)]-(9CI)
- 1,3-Dioxolane-2-carboxylic acid, 2,4,5-trimethyl-, [4S-(2alpha,4alpha,5beta)]-
- 73083-42-8
- DTXSID601162320
-
- Inchi： 1S/C7H12O4/c1-4-5(2)11-7(3,10-4)6(8)9/h4-5H,1-3H3,(H,8,9)/t4-,5-/m0/s1
- InChI Key： SWNQQEKUBGWZBA-WHFBIAKZSA-N
- SMILES： O1C(C(=O)O)(C)O[C@@H](C)[C@@H]1C
Computed Properties
- Exact Mass: 160.07400
- Monoisotopic Mass: 160.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 55.76000
- LogP: 0.61100
1,3-Dioxolane-2-carboxylicacid, 2,4,5-trimethyl-, [4S-(2a,4a,5b)]- (9CI) Related Literature
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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
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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