Cas no 1261926-72-0 (5-(4-Hydroxymethylphenyl)-2-methoxynicotinic acid)
1261926-72-0 structure
Product Name:5-(4-Hydroxymethylphenyl)-2-methoxynicotinic acid
CAS No:1261926-72-0
MF:C14H13NO4
MW:259.257323980331
CID:2763968
PubChem ID:53222768
Update Time:2025-04-21
5-(4-Hydroxymethylphenyl)-2-methoxynicotinic acid Chemical and Physical Properties
Names and Identifiers
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- MFCD18316946
- DTXSID30687121
- 1261926-72-0
- 5-(4-HYDROXYMETHYLPHENYL)-2-METHOXYNICOTINIC ACID
- 5-(4-Hydroxymethylphenyl)-2-methoxynicotinic acid, 95%
- 5-(4-Hydroxymethylphenyl)-2-methoxynicotinic acid
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- Inchi： 1S/C14H13NO4/c1-19-13-12(14(17)18)6-11(7-15-13)10-4-2-9(8-16)3-5-10/h2-7,16H,8H2,1H3,(H,17,18)
- InChI Key： JUJQUIZKESMAEO-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=O)O)C=C(C=N1)C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 259.08445790Da
- Monoisotopic Mass: 259.08445790Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 302
- 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: 1.4
- Topological Polar Surface Area: 79.7?2
5-(4-Hydroxymethylphenyl)-2-methoxynicotinic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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