Cas no 5703-42-4 (1,3-Dioxane-2-carboxylic acid, 2-methyl-)
5703-42-4 structure
Product Name:1,3-Dioxane-2-carboxylic acid, 2-methyl-
CAS No:5703-42-4
MF:C6H10O4
MW:146.141202449799
CID:1601294
PubChem ID:12347872
Update Time:2025-04-21
1,3-Dioxane-2-carboxylic acid, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-2-carboxylic acid, 2-methyl-
- 2-methyl-1,3-Dioxane-2-carboxylic acid
- SCHEMBL5172495
- DA-25965
- AKOS006380968
- 5703-42-4
-
- Inchi： 1S/C6H10O4/c1-6(5(7)8)9-3-2-4-10-6/h2-4H2,1H3,(H,7,8)
- InChI Key： CDXFQIWVEFLCLY-UHFFFAOYSA-N
- SMILES： O1CCCOC1(C(=O)O)C
Computed Properties
- Exact Mass: 146.0579
- Monoisotopic Mass: 146.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 137
- 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
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
1,3-Dioxane-2-carboxylic acid, 2-methyl- Related Literature
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
5703-42-4 (1,3-Dioxane-2-carboxylic acid, 2-methyl-) Related Products
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