Cas no 6496-98-6 (3,5-Isoxazoledicarboxylic acid, 4-hydroxy-)
6496-98-6 structure
Product Name:3,5-Isoxazoledicarboxylic acid, 4-hydroxy-
CAS No:6496-98-6
MF:C5H3NO6
MW:173.080421686172
CID:4104058
PubChem ID:54749145
Update Time:2025-04-22
3,5-Isoxazoledicarboxylic acid, 4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Isoxazoledicarboxylic acid, 4-hydroxy-
- 4-Hydroxyisoxazole-3,5-dicarboxylic acid
- 1,2(1,5)-Isoxazole, IOA9
- 4-Hydroxyisoxazole-3,5-dicarboxylicacid
- 4-hydroxy-1,2-oxazole-3,5-dicarboxylic acid
- BDBM23250
- 6496-98-6
-
- Inchi： 1S/C5H3NO6/c7-2-1(4(8)9)6-12-3(2)5(10)11/h7H,(H,8,9)(H,10,11)
- InChI Key： ZEXKPMKNINDAGF-UHFFFAOYSA-N
- SMILES： O1C(C(O)=O)=C(O)C(C(O)=O)=N1
Computed Properties
- Exact Mass: 172.99603682Da
- Monoisotopic Mass: 172.99603682Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 0.3
- Topological Polar Surface Area: 121?2
3,5-Isoxazoledicarboxylic acid, 4-hydroxy- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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