Cas no 22572-30-1 (2-Butynal, 4-(acetyloxy)-)
2-Butynal, 4-(acetyloxy)- structure
Product Name:2-Butynal, 4-(acetyloxy)-
CAS No:22572-30-1
MF:C6H6O3
MW:126.110042095184
CID:1413598
PubChem ID:21668235
Update Time:2025-04-20
2-Butynal, 4-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butynal, 4-(acetyloxy)-
- 4-acetoxybut-2-ynal
- 4-(Acetyloxy)-2-butynal
- 22572-30-1
- DTXSID801313503
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- Inchi： 1S/C6H6O3/c1-6(8)9-5-3-2-4-7/h4H,5H2,1H3
- InChI Key： AJTFUSMZVNPVCL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC#CC=O
Computed Properties
- Exact Mass: 126.03168
- Monoisotopic Mass: 126.031694049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 169
- 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
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Butynal, 4-(acetyloxy)- Related Literature
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
22572-30-1 (2-Butynal, 4-(acetyloxy)-) Related Products
- 762-21-0(1,4-diethyl but-2-ynedioate)
- 4341-76-8(ethyl but-2-ynoate)
- 1573-17-7(1,4-Diacetyl-2-butyne-1,4-diol)
- 34485-37-5(2-Butynyl acetate,98%)
- 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)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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