Cas no 1261901-80-7 (2-(3,5-Dicarboxyphenyl)isonicotinic acid)
1261901-80-7 structure
Product Name:2-(3,5-Dicarboxyphenyl)isonicotinic acid
CAS No:1261901-80-7
MF:C14H9NO6
MW:287.224364042282
CID:2762295
PubChem ID:53224346
Update Time:2025-04-21
2-(3,5-Dicarboxyphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(3,5-DICARBOXYPHENYL)ISONICOTINIC ACID
- 5-(4-Carboxypyridin-2-yl)isophthalic acid
- 5-(4-Carboxypyridin-2-yl)isophthalicacid
- DTXSID30688279
- 1261901-80-7
- MFCD18318415
- 2-(3,5-Dicarboxyphenyl)isonicotinic acid, 95%
- 2-(3,5-Dicarboxyphenyl)isonicotinic acid
-
- Inchi： 1S/C14H9NO6/c16-12(17)7-1-2-15-11(6-7)8-3-9(13(18)19)5-10(4-8)14(20)21/h1-6H,(H,16,17)(H,18,19)(H,20,21)
- InChI Key： GSPMYJBBSQGHEO-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C=C(C=1)C1C=C(C(=O)O)C=CN=1)=O
Computed Properties
- Exact Mass: 287.04298701Da
- Monoisotopic Mass: 287.04298701Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 415
- 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: 1.1
- Topological Polar Surface Area: 125?2
2-(3,5-Dicarboxyphenyl)isonicotinic acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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