Cas no 68691-05-4 (2-Butynoic acid, 4-(acetyloxy)-, methyl ester)
68691-05-4 structure
Product Name:2-Butynoic acid, 4-(acetyloxy)-, methyl ester
CAS No:68691-05-4
MF:C7H8O4
MW:156.136022567749
CID:392712
PubChem ID:15005147
Update Time:2025-04-19
2-Butynoic acid, 4-(acetyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butynoic acid, 4-(acetyloxy)-, methyl ester
- methyl 4-acetyloxybut-2-ynoate
- 68691-05-4
- DTXSID00566838
- METHYL 4-(ACETYLOXY)BUT-2-YNOATE
-
- Inchi： 1S/C7H8O4/c1-6(8)11-5-3-4-7(9)10-2/h5H2,1-2H3
- InChI Key： SKQIZGPOLJHFGL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC#CC(=O)OC
Computed Properties
- Exact Mass: 156.04224
- Monoisotopic Mass: 156.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 217
- 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: 0.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2-Butynoic acid, 4-(acetyloxy)-, methyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
68691-05-4 (2-Butynoic acid, 4-(acetyloxy)-, methyl 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)
- 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)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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