Cas no 1255636-20-4 (2-(3-Hydroxymethylphenyl)isonicotinic acid)
1255636-20-4 structure
Product Name:2-(3-Hydroxymethylphenyl)isonicotinic acid
CAS No:1255636-20-4
MF:C13H11NO3
MW:229.231343507767
CID:2760747
PubChem ID:53222737
Update Time:2025-04-21
2-(3-Hydroxymethylphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID30687101
- MFCD17677624
- 2-(3-HYDROXYMETHYLPHENYL)ISONICOTINIC ACID
- 2-(3-(Hydroxymethyl)phenyl)isonicotinicacid
- 2-(3-(Hydroxymethyl)phenyl)isonicotinic acid
- 1255636-20-4
- 2-(3-Hydroxymethylphenyl)isonicotinic acid, 95%
- 2-(3-Hydroxymethylphenyl)isonicotinic acid
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- MDL： MFCD17677624
- Inchi： 1S/C13H11NO3/c15-8-9-2-1-3-10(6-9)12-7-11(13(16)17)4-5-14-12/h1-7,15H,8H2,(H,16,17)
- InChI Key： VKRPGCYJHFKVEL-UHFFFAOYSA-N
- SMILES： OCC1C=CC=C(C=1)C1C=C(C(=O)O)C=CN=1
Computed Properties
- Exact Mass: 229.07389321Da
- Monoisotopic Mass: 229.07389321Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 1.5
- Topological Polar Surface Area: 70.4?2
2-(3-Hydroxymethylphenyl)isonicotinic acid Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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2. 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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
1255636-20-4 (2-(3-Hydroxymethylphenyl)isonicotinic acid) Related Products
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