Cas no 38391-86-5 (2-Butynedioic acid, monoethyl ester)
38391-86-5 structure
Product Name:2-Butynedioic acid, monoethyl ester
CAS No:38391-86-5
MF:C6H5O4
MW:141.101502180099
CID:292284
PubChem ID:71360575
Update Time:2025-04-19
2-Butynedioic acid, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butynedioic acid, monoethyl ester
- 4-ethoxy-4-oxobut-2-ynoate
- DTXSID90784362
- KXFBGXZEKANBLZ-UHFFFAOYSA-M
- Ethyl acetylenedicarboxylate
- 2-Butynedioic acid, 1-ethyl ester
- 38391-86-5
-
- Inchi： 1S/C6H6O4/c1-2-10-6(9)4-3-5(7)8/h2H2,1H3,(H,7,8)/p-1
- InChI Key： KXFBGXZEKANBLZ-UHFFFAOYSA-M
- SMILES： O(C(C#CC(=O)[O-])=O)CC
Computed Properties
- Exact Mass: 141.01875
- Monoisotopic Mass: 141.01878364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 199
- 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: 1.5
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
2-Butynedioic acid, monoethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
38391-86-5 (2-Butynedioic acid, monoethyl ester) Related Products
- 762-21-0(1,4-diethyl but-2-ynedioate)
- 762-42-5(1,4-dimethyl but-2-ynedioate)
- 4341-76-8(ethyl but-2-ynoate)
- 10227-18-6(Pentaacetyl-5-thioglucose)
- 31555-05-2(Methyl 4-hydroxybut-2-ynoate)
- 31555-04-1(2-Butynoic acid, 4-hydroxy-, ethyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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