Cas no 494787-05-2 (1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, diethyl ester)
494787-05-2 structure
Product Name:1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, diethyl ester
CAS No:494787-05-2
MF:C12H17O8
MW:289.258584737778
CID:1533657
PubChem ID:71362633
Update Time:2025-04-21
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, diethyl ester
- 3-acetyloxy-5-ethoxy-3-ethoxycarbonyl-5-oxopentanoate
- 494787-05-2
- 3-(Acetyloxy)-5-ethoxy-3-(ethoxycarbonyl)-5-oxopentanoate
- DTXSID70786248
-
- Inchi： 1S/C12H18O8/c1-4-18-10(16)7-12(6-9(14)15,20-8(3)13)11(17)19-5-2/h4-7H2,1-3H3,(H,14,15)/p-1
- InChI Key： KLVGAESETOVKKW-UHFFFAOYSA-M
- SMILES： O(C(C)=O)C(C(=O)OCC)(CC(=O)[O-])CC(=O)OCC
Computed Properties
- Exact Mass: 289.09231
- Monoisotopic Mass: 289.09234250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 383
- 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: 0.6
- Topological Polar Surface Area: 119?2
Experimental Properties
- PSA: 119.03
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, diethyl ester Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
494787-05-2 (1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, diethyl ester) Related Products
- 77-93-0(Triethyl citrate)
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- 77-89-4(Triethyl O-Acetylcitrate)
- 77-90-7(Tributyl O-Acetylcitrate)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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