Cas no 68521-71-1 (2,3-Oxiranedicarboxylic acid, monoethyl ester)
68521-71-1 structure
Product Name:2,3-Oxiranedicarboxylic acid, monoethyl ester
CAS No:68521-71-1
MF:C6H8O5
MW:160.124722480774
CID:393079
PubChem ID:13150796
Update Time:2025-04-19
2,3-Oxiranedicarboxylic acid, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Oxiranedicarboxylic acid, monoethyl ester
- 3-ethoxycarbonyloxirane-2-carboxylate
- 2,3-epoxybutanedioic acid monoethyl ester
- CHEMBL430641
- MFCD18829018
- 3-(ETHOXYCARBONYL)OXIRANE-2-CARBOXYLIC ACID
- Oxirane-2,3-dicarboxylic acid monoethyl ester
- SY345029
- 68521-71-1
- SB47502
- SY289467
- FT-0686228
- MFCD18829017
- 84518-79-6
- SCHEMBL1238213
- BDBM50094931
- MWMZDXCRDIBPCO-UHFFFAOYSA-N
-
- Inchi： 1S/C6H8O5/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3,(H,7,8)
- InChI Key： MWMZDXCRDIBPCO-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)C1C(=O)OCC
Computed Properties
- Exact Mass: 159.02931
- Monoisotopic Mass: 160.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 187
- 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: -0.2
- Topological Polar Surface Area: 76.1?2
Experimental Properties
- PSA: 78.96
2,3-Oxiranedicarboxylic acid, monoethyl ester Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
68521-71-1 (2,3-Oxiranedicarboxylic acid, monoethyl ester) Related Products
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- 7554-28-1(Diethyl D-Malate)
- 691-84-9(Diethyl L-(-)-Malate)
- 83541-68-8((-)-Diisopropyl-L-malate)
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