Cas no 80845-59-6 (4-Pyridinecarboxylicacid,1,2-dihydro-1-methyl-,methylester(9CI))
80845-59-6 structure
Product Name:4-Pyridinecarboxylicacid,1,2-dihydro-1-methyl-,methylester(9CI)
CAS No:80845-59-6
MF:C8H11NO2
MW:153.178442239761
CID:1021375
PubChem ID:45090140
Update Time:2025-04-20
4-Pyridinecarboxylicacid,1,2-dihydro-1-methyl-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid,1,2-dihydro-1-methyl-,methylester(9CI)
- 4-methoxycarbonyl-1,2,3-triazole
- 4-Methoxycarbonyl-1-methyl-1,2-dihydro-pyridin
- 4-Methoxycarbonyl-v-triazol
- METHYL 1,2,3-TRIAZOLE-4-CARBOXYLATE
- methyl 1H-1,2,3-triazole-4-carboxylate
- Methyl-1,2,3-triazol-4-carboxylat
- methyl 1-methyl-isonicotinoate
- 80845-59-6
- DTXSID101235049
- Methyl 1,2-dihydro-1-methyl-4-pyridinecarboxylate
- SCHEMBL11441987
-
- Inchi： 1S/C8H11NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h3-5H,6H2,1-2H3
- InChI Key： WVSWISSODKXCHK-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CN(C)CC=1)=O
Computed Properties
- Exact Mass: 153.07900
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 0.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54000
- LogP: 0.48280
4-Pyridinecarboxylicacid,1,2-dihydro-1-methyl-,methylester(9CI) Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
80845-59-6 (4-Pyridinecarboxylicacid,1,2-dihydro-1-methyl-,methylester(9CI)) Related Products
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