Cas no 2401-96-9 (Butanedioic acid, oxo-, 4-ethyl ester)
2401-96-9 structure
Product Name:Butanedioic acid, oxo-, 4-ethyl ester
CAS No:2401-96-9
MF:C6H7O5
MW:159.116782426834
CID:1416170
PubChem ID:71357975
Update Time:2025-04-20
Butanedioic acid, oxo-, 4-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, oxo-, 4-ethyl ester
- 4-ethoxy-2,4-dioxobutanoate
- DTXSID60782012
- 2401-96-9
-
- Inchi： 1S/C6H8O5/c1-2-11-5(8)3-4(7)6(9)10/h2-3H2,1H3,(H,9,10)/p-1
- InChI Key： RRJVSWHPJLGNPA-UHFFFAOYSA-M
- SMILES： O(C(CC(C(=O)[O-])=O)=O)CC
Computed Properties
- Exact Mass: 159.02931
- Monoisotopic Mass: 159.02934832g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 178
- 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: 0.7
- Topological Polar Surface Area: 83.5?2
Experimental Properties
- PSA: 83.5
Butanedioic acid, oxo-, 4-ethyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
2401-96-9 (Butanedioic acid, oxo-, 4-ethyl ester) Related Products
- 108-56-5(Diethyl 2-oxobutanedioate)
- 25007-54-9(1,4-dimethyl 2-oxobutanedioate)
- 15933-07-0(Ethyl 2-oxobutanoate)
- 36983-33-2(ethyl 2,4-dioxononanoate)
- 13246-52-1(Ethyl 2,4-dioxohexanoate)
- 615-79-2(ethyl 2,4-dioxopentanoate)
- 13192-05-7(4-Methoxy-2,4-dioxobutanoic acid)
- 1723-25-7(Ethyl 2,3-dioxobutanoate)
- 36983-31-0(2,4-Dioxoheptanoic Acid Ethyl Ester)
- 68854-18-2(Diethyl 2,4,6-trioxoheptanedioate)
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