Cas no 712353-85-0 (1,3-Dioxane-2-carboxylicacid, 5-methyl-)
712353-85-0 structure
Product Name:1,3-Dioxane-2-carboxylicacid, 5-methyl-
CAS No:712353-85-0
MF:C6H10O4
MW:146.141202449799
CID:558027
PubChem ID:45084656
Update Time:2025-04-19
1,3-Dioxane-2-carboxylicacid, 5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-2-carboxylicacid, 5-methyl-
- 1,3-Dioxane-2-carboxylicacid,5-methyl-(9CI)
- 5-methyl-1,3-dioxane-2-carboxylic acid
- 712353-85-0
- SCHEMBL2881231
- DTXSID40665652
- FWNLNOGJCQWZDE-UHFFFAOYSA-N
- AKOS006385253
- 5-methyl-[1,3]dioxane-2-carboxylic acid
-
- Inchi： 1S/C6H10O4/c1-4-2-9-6(5(7)8)10-3-4/h4,6H,2-3H2,1H3,(H,7,8)
- InChI Key： FWNLNOGJCQWZDE-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)OCC(C)C1
Computed Properties
- Exact Mass: 146.0579
- Monoisotopic Mass: 146.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 126
- 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
- Topological Polar Surface Area: 55.8A^2
- XLogP3: 0.2
Experimental Properties
- PSA: 55.76
1,3-Dioxane-2-carboxylicacid, 5-methyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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