Cas no 13153-14-5 (2-Butenal, 2,3-dimethyl-)
2-Butenal, 2,3-dimethyl- structure
Product Name:2-Butenal, 2,3-dimethyl-
CAS No:13153-14-5
MF:C6H10O
MW:98.1430020332336
CID:1228524
PubChem ID:11018812
Update Time:2025-04-20
2-Butenal, 2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenal, 2,3-dimethyl-
- 2,3-dimethylbut-2-enal
- DTXSID70451989
- 2,3-dimethyl-but-2-enal
- 13153-14-5
- XGSZRMLYTKMPFE-UHFFFAOYSA-N
-
- Inchi： 1S/C6H10O/c1-5(2)6(3)4-7/h4H,1-3H3
- InChI Key： XGSZRMLYTKMPFE-UHFFFAOYSA-N
- SMILES： O=C/C(/C)=C(\C)/C
Computed Properties
- Exact Mass: 98.0732
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 96.7
- 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: 17.1?2
Experimental Properties
- PSA: 17.07
2-Butenal, 2,3-dimethyl- Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
13153-14-5 (2-Butenal, 2,3-dimethyl-) Related Products
- 1115-11-3(Tiglic aldehyde)
- 497-03-0(trans-Methyl-2-butenal)
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- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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