Cas no 61799-61-9 (1,3-Dioxolane-2-carboxylic acid, 4-methyl-5-oxo-)
61799-61-9 structure
Product Name:1,3-Dioxolane-2-carboxylic acid, 4-methyl-5-oxo-
CAS No:61799-61-9
MF:C5H6O5
MW:146.098142147064
CID:465773
PubChem ID:45084676
Update Time:2025-04-19
1,3-Dioxolane-2-carboxylic acid, 4-methyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-2-carboxylic acid, 4-methyl-5-oxo-
- 1,3-Dioxolane-2-carboxylicacid,4-methyl-5-oxo-(9CI)
- 4-methyl-5-oxo-1,3-dioxolane-2-carboxylic acid
- DTXSID40665657
- 61799-61-9
-
- Inchi： 1S/C5H6O5/c1-2-4(8)10-5(9-2)3(6)7/h2,5H,1H3,(H,6,7)
- InChI Key： SSTVYUZOOJYZAS-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)OC(C1C)=O
Computed Properties
- Exact Mass: 146.02148
- Monoisotopic Mass: 146.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
1,3-Dioxolane-2-carboxylic acid, 4-methyl-5-oxo- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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