Cas no 15440-76-3 (3,4-Isoxazoledicarboxylicacid)
3,4-Isoxazoledicarboxylicacid structure
Product Name:3,4-Isoxazoledicarboxylicacid
CAS No:15440-76-3
MF:C5H3NO5
MW:157.081021547318
CID:120979
PubChem ID:19782515
Update Time:2025-04-18
3,4-Isoxazoledicarboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Isoxazoledicarboxylicacid
- 1,2-oxazole-3,4-dicarboxylic acid
- 3,4-Isoxazoledicarboxylicacid(8CI,9CI)
- SCHEMBL8595148
- 15440-76-3
- DTXSID80599866
- isoxazole-3,4-dicarboxylic acid
-
- Inchi： 1S/C5H3NO5/c7-4(8)2-1-11-6-3(2)5(9)10/h1H,(H,7,8)(H,9,10)
- InChI Key： VHTCWHUBWLWXSW-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)O)C(C(=O)O)=N1
Computed Properties
- Exact Mass: 157.00112220g/mol
- Monoisotopic Mass: 157.00112220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 191
- 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: -0.2
- Topological Polar Surface Area: 101?2
3,4-Isoxazoledicarboxylicacid Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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