Cas no 26103-79-7 (1,3-Diethyl 4-hydroxy-1-methyl-5-oxo-3-cyclopentene-1,3-dicarboxylate)
26103-79-7 structure
Product Name:1,3-Diethyl 4-hydroxy-1-methyl-5-oxo-3-cyclopentene-1,3-dicarboxylate
CAS No:26103-79-7
MF:C12H16O6
MW:256.251844406128
CID:6642517
PubChem ID:101981670
Update Time:2024-01-29
1,3-Diethyl 4-hydroxy-1-methyl-5-oxo-3-cyclopentene-1,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- 26103-79-7
- 1,3-Diethyl 4-hydroxy-1-methyl-5-oxo-3-cyclopentene-1,3-dicarboxylate
- DTXSID501156609
-
- Inchi： 1S/C12H16O6/c1-4-17-10(15)7-6-12(3,9(14)8(7)13)11(16)18-5-2/h13H,4-6H2,1-3H3
- InChI Key： KIAUMEWWBXLHJW-UHFFFAOYSA-N
- SMILES： O(CC)C(C1(C)C(C(=C(C(=O)OCC)C1)O)=O)=O
Computed Properties
- Exact Mass: 256.09468823g/mol
- Monoisotopic Mass: 256.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 422
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 89.9?2
1,3-Diethyl 4-hydroxy-1-methyl-5-oxo-3-cyclopentene-1,3-dicarboxylate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
26103-79-7 (1,3-Diethyl 4-hydroxy-1-methyl-5-oxo-3-cyclopentene-1,3-dicarboxylate) Related Products
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