Cas no 918503-28-3 (3-Methylbut-2-en-1-yl 2,2-dichloro-3-oxobutanoate)
918503-28-3 structure
Product Name:3-Methylbut-2-en-1-yl 2,2-dichloro-3-oxobutanoate
CAS No:918503-28-3
MF:C9H12Cl2O3
MW:239.095781326294
CID:774209
Update Time:2023-08-03
3-Methylbut-2-en-1-yl 2,2-dichloro-3-oxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,2-dichloro-3-oxo-, 3-methyl-2-buten-1-yl ester
- 3-methylbut-2-enyl 2,2-dichloro-3-oxobutanoate
- 3-Methylbut-2-en-1-yl 2,2-dichloro-3-oxobutanoate
- 2,2-Dichloro-3-oxobutanoic acid 3-methyl-2-butenyl ester
-
- Inchi： 1S/C9H12Cl2O3/c1-6(2)4-5-14-8(13)9(10,11)7(3)12/h4H,5H2,1-3H3
- InChI Key： RBSRBQSBRWWBKI-UHFFFAOYSA-N
- SMILES： ClC(C(C)=O)(C(=O)OC/C=C(\C)/C)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 265
- Topological Polar Surface Area: 43.4
3-Methylbut-2-en-1-yl 2,2-dichloro-3-oxobutanoate Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
918503-28-3 (3-Methylbut-2-en-1-yl 2,2-dichloro-3-oxobutanoate) Related Products
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