Cas no 58588-90-2 (3-(bromomethyl)-2(5H)-Furanone)
58588-90-2 structure
Product Name:3-(bromomethyl)-2(5H)-Furanone
CAS No:58588-90-2
MF:C5H5BrO2
MW:176.996001005173
CID:1114482
PubChem ID:12258901
Update Time:2025-04-20
3-(bromomethyl)-2(5H)-Furanone Chemical and Physical Properties
Names and Identifiers
-
- 3-(bromomethyl)-2(5H)-Furanone
- 3-(bromomethyl)furan-2(5H)-one
- 58588-90-2
- SCHEMBL9846945
- 2(5H)-Furanone, 3-(bromomethyl)-
-
- Inchi： 1S/C5H5BrO2/c6-3-4-1-2-8-5(4)7/h1H,2-3H2
- InChI Key： QRKZLCZRWJJOFS-UHFFFAOYSA-N
- SMILES： BrCC1C(=O)OCC=1
Computed Properties
- Exact Mass: 175.94729g/mol
- Monoisotopic Mass: 175.94729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 139
- 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: 0.8
- Topological Polar Surface Area: 26.3?2
3-(bromomethyl)-2(5H)-Furanone Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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4. 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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