Cas no 928166-90-9 (2-(3-Hydroxymethylphenyl)isonicotinic acid)
928166-90-9 structure
Product Name:2-(3-Hydroxymethylphenyl)isonicotinic acid
CAS No:928166-90-9
MF:C13H11NO3
MW:229.231343507767
CID:998988
PubChem ID:53222741
Update Time:2025-04-20
2-(3-Hydroxymethylphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(3-Hydroxymethylphenyl)isonicotinic acid
- 2-(2,6-DIMETHYLHEPTYL)-3-HYDROXYCYCLOPENT-2-ENONE
- 2-(3-Hydroxymethylphenyl)nicotinic acid
- 2-(3-Hydroxymethylphenyl)nicotinic acid methyl ester
- 3-(5-(Aminomethyl)pyridin-2-yl)benzyl alcohol
- 3-(5-(Hydroxymethyl)pyridin-2-yl)benzyl alcohol
- 6-(3-Hydroxymethylphenyl)pyridine-2-carboxylic acid
- 6-[3-(hydroxymethyl)phenyl]-3-pyridinecarboxylic acid
- 928166-90-9
- 6-(3-HYDROXYMETHYLPHENYL)NICOTINIC ACID
- SCHEMBL5593121
- MFCD17677623
- 6-[3-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
- 6-(3-Hydroxymethylphenyl)nicotinic acid, 95%
- 6-(3-(Hydroxymethyl)phenyl)nicotinic acid
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- Inchi： 1S/C13H11NO3/c15-8-9-2-1-3-10(6-9)12-5-4-11(7-14-12)13(16)17/h1-7,15H,8H2,(H,16,17)
- InChI Key： UFVLGJADAHYCIF-UHFFFAOYSA-N
- SMILES： OCC1C=CC=C(C=1)C1C=CC(C(=O)O)=CN=1
Computed Properties
- Exact Mass: 229.07400
- Monoisotopic Mass: 229.074
- 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
- Topological Polar Surface Area: 70.4A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 70.42000
- LogP: 1.93910
2-(3-Hydroxymethylphenyl)isonicotinic acid Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
928166-90-9 (2-(3-Hydroxymethylphenyl)isonicotinic acid) Related Products
- 29051-44-3(6-Phenylnicotinic acid)
- 55240-51-2(2-Phenylisonicotinic acid)
- 887976-22-9(6-(3-methylphenyl)pyridine-3-carboxylic acid)
- 4467-07-6(3-(Pyridin-2-yl)benzoic acid)
- 4385-62-0(4-(2-Pyridinyl)benzoic Acid)
- 883528-31-2(2-(o-Tolyl)isonicotinic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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