Cas no 105702-53-2 (1,2,4-Benzenetricarboxylic acid, 2-ethyl ester)
105702-53-2 structure
Product Name:1,2,4-Benzenetricarboxylic acid, 2-ethyl ester
CAS No:105702-53-2
MF:C11H8O6
MW:236.177623748779
CID:97409
PubChem ID:71333758
Update Time:2025-04-18
1,2,4-Benzenetricarboxylic acid, 2-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid, 2-ethyl ester
- 4-ethoxycarbonylbenzene-1,3-dicarboxylate
- 105702-53-2
- 4-(Ethoxycarbonyl)benzene-1,3-dicarboxylate
- DTXSID00761962
-
- Inchi： 1S/C11H10O6/c1-2-17-11(16)7-4-3-6(9(12)13)5-8(7)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15)/p-2
- InChI Key： HQCNOZFRZSLVQS-UHFFFAOYSA-L
- SMILES： O(CC)C(C1C=CC(C(=O)[O-])=CC=1C(=O)[O-])=O
Computed Properties
- Exact Mass: 238.0477
- Monoisotopic Mass: 236.03208797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 313
- 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: 2.5
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 100.9
1,2,4-Benzenetricarboxylic acid, 2-ethyl ester Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
105702-53-2 (1,2,4-Benzenetricarboxylic acid, 2-ethyl ester) Related Products
- 2528-16-7(Monobenzyl phthalate)
- 120-51-4(Benzyl benzoate)
- 87-41-2(Phthalide)
- 87-24-1(Ethyl 2-methylbenzoate)
- 89-71-4(Methyl o-toluate)
- 2282-84-0(Methyl 2,4,6-trimethylbenzoate)
- 94-08-6(Ethyl p-toluate)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 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)
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