Cas no 35588-68-2 (Methyl 3-bromocrotonate)
Methyl 3-bromocrotonate structure
Product Name:Methyl 3-bromocrotonate
CAS No:35588-68-2
MF:C5H7BrO2
MW:179.011881113052
CID:2941200
Update Time:2023-08-10
Methyl 3-bromocrotonate Chemical and Physical Properties
Names and Identifiers
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- methyl 3-bromocrotonate
- Methyl 3-bromocrotonate
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- Inchi： 1S/C5H7BrO2/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3-
- InChI Key： JPLHFWSHCZVVDR-ARJAWSKDSA-N
- SMILES： Br/C(/C)=C\C(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 118
- XLogP3: 1.4
- Topological Polar Surface Area: 26.3
Methyl 3-bromocrotonate Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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