Cas no 1261910-85-3 (4-(3,5-Dicarboxyphenyl)nicotinic acid)
1261910-85-3 structure
Product Name:4-(3,5-Dicarboxyphenyl)nicotinic acid
CAS No:1261910-85-3
MF:C14H9NO6
MW:287.224364042282
CID:2762916
PubChem ID:53229621
Update Time:2025-04-21
4-(3,5-Dicarboxyphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1261910-85-3
- DTXSID10692753
- 4-(3,5-DICARBOXYPHENYL)NICOTINIC ACID
- MFCD18323768
- 4-(3,5-Dicarboxyphenyl)nicotinic acid, 95%
- 4-(3,5-Dicarboxyphenyl)nicotinic acid
-
- Inchi： 1S/C14H9NO6/c16-12(17)8-3-7(4-9(5-8)13(18)19)10-1-2-15-6-11(10)14(20)21/h1-6H,(H,16,17)(H,18,19)(H,20,21)
- InChI Key： BGCXRXJAYKJTEQ-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C=C(C=1)C1C=CN=CC=1C(=O)O)=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
4-(3,5-Dicarboxyphenyl)nicotinic acid Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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