Cas no 855389-68-3 (Oxalacetic acid, chloro(hydroxymethyl)-, -gamma--lactone (5CI))
855389-68-3 structure
Product Name:Oxalacetic acid, chloro(hydroxymethyl)-, -gamma--lactone (5CI)
CAS No:855389-68-3
MF:C5H3ClO5
MW:178.527321100235
CID:717392
Update Time:2023-11-18
Oxalacetic acid, chloro(hydroxymethyl)-, -gamma--lactone (5CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Furancarboxylic acid,3-chlorotetrahydro-4,5-dioxo-
- Oxalacetic acid, chloro(hydroxymethyl)-, -gamma--lactone (5CI)
- CID 131861131
- Oxalacetic acid, chloro(hydroxymethyl)-, -gamma--lactone (5CI)
- 3-Furancarboxylic acid, 3-chlorotetrahydro-4,5-dioxo-
-
- Inchi： 1S/C5H3ClO5/c6-5(4(9)10)1-11-3(8)2(5)7/h1H2,(H,9,10)
- InChI Key： XUWRFSZDISZOBN-UHFFFAOYSA-N
- SMILES： ClC1(C(=O)O)C(C(=O)OC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 247
- Topological Polar Surface Area: 80.7
Oxalacetic acid, chloro(hydroxymethyl)-, -gamma--lactone (5CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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