Cas no 30313-07-6 (2-Butene-2,2,3-tricarboxylicacid, 3-methyl-, 1,2,4-triethyl ester)
30313-07-6 structure
Product Name:2-Butene-2,2,3-tricarboxylicacid, 3-methyl-, 1,2,4-triethyl ester
CAS No:30313-07-6
MF:C12H18O6
MW:258.267724514008
CID:316884
PubChem ID:277838
Update Time:2025-04-19
2-Butene-2,2,3-tricarboxylicacid, 3-methyl-, 1,2,4-triethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butene-2,2,3-tricarboxylicacid, 3-methyl-, 1,2,4-triethyl ester
- triethyl prop-1-ene-1,1,2-tricarboxylate
- AC1L5MTR
- AC1Q63JU
- AG-J-30460
- AR-1L7318
- CTK4G4865
- diethyl 2-ethoxycarbonyl-3-methylbutadienoate
- NSC126872
- Prop-1-en-1,1,2-tricarbonsaeure-triaethylester
- prop-1-ene-1,1,2-tricarboxylic acid triethyl ester
- DTXSID60298906
- NSC 126872
- 30313-07-6
- NSC-126872
- SCHEMBL13990784
-
- Inchi： 1S/C12H18O6/c1-5-16-10(13)8(4)9(11(14)17-6-2)12(15)18-7-3/h5-7H2,1-4H3
- InChI Key： GKPVAGGETYYJEH-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(/C)=C(\C(=O)OCC)/C(=O)OCC)=O
Computed Properties
- Exact Mass: 258.11034
- Monoisotopic Mass: 258.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 336
- 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: 2.6
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- Density: 1.121
- Boiling Point: 293.7°Cat760mmHg
- Flash Point: 122.8°C
- Refractive Index: 1.456
- PSA: 78.9
- LogP: 0.99220
2-Butene-2,2,3-tricarboxylicacid, 3-methyl-, 1,2,4-triethyl ester Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
30313-07-6 (2-Butene-2,2,3-tricarboxylicacid, 3-methyl-, 1,2,4-triethyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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