Cas no 781-38-4 (Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate)
781-38-4 structure
Product Name:Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate
CAS No:781-38-4
MF:C10H10O6
MW:226.182803630829
CID:1790879
PubChem ID:240733
Update Time:2025-04-21
Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate
- <
- 4-Methyl-2,3,5-trioxo-cyclopentyl>
- -glyoxylsaeure-ethylester
- NSC47361
- (3-methyl-2,4,5-trioxo-cyclopentyl)-glyoxylic acid ethyl ester
- CTK5E5419
- CBMicro_000292
- Opt.-inakt. (2,4,5-Trioxo-3-methyl-cyclopentyl)-glyoxylsaeure-aethylester
- NSC54457
- SMSF0005926
- AC1L65UA
- (3-Methyl-2,4,5-trioxo-cyclopentyl)-glyoxylsaeure-aethylester
- (4-Methyl-2,3,5-trioxo-cyclopentyl)-glyoxalsaeure-ethylester
- 4-Methyl-2,3,5-trioxocyclopentanglyoxylsaeureaethylester
- 4-Methyl-2,3,5-trioxocyclopentanglyoxylinsaeureethylester
- ETHYL (3-METHYL-2,4,5-TRIOXOCYCLOPENTYL)(OXO)ACETATE
- < 4-Methyl-2,3,5-trioxo-cyclopentyl> -glyoxylsaeure-ethylester
- 4-Methyl-2,3,5-trioxocyclopentanglyo
- NSC-47361
- DA-34531
- BIM-0000129.P001
- 781-38-4
- ethyl(3-methyl-2,4,5-trioxocyclopentyl)(oxo)acetate
- NSC-54457
- DTXSID50286756
- CB01493
-
- Inchi： 1S/C10H10O6/c1-3-16-10(15)9(14)5-6(11)4(2)7(12)8(5)13/h4-5H,3H2,1-2H3
- InChI Key： ZOZZQXRJOZKHSK-UHFFFAOYSA-N
- SMILES： O=C1C(C(C(=O)OCC)=O)C(C(C1C)=O)=O
Computed Properties
- Exact Mass: 226.0477
- Monoisotopic Mass: 226.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 394
- 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: 0.4
- Topological Polar Surface Area: 94.6?2
Experimental Properties
- PSA: 94.58
Ethyl 2-(3-methyl-2,4,5-trioxocyclopentyl)-2-oxoacetate Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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