Cas no 1258622-83-1 (3-(3-Methoxycarbonylphenyl)isonicotinic acid)
1258622-83-1 structure
Product Name:3-(3-Methoxycarbonylphenyl)isonicotinic acid
CAS No:1258622-83-1
MF:C14H11NO4
MW:257.241443872452
CID:2760941
PubChem ID:53223673
Update Time:2025-04-21
3-(3-Methoxycarbonylphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1258622-83-1
- 3-(3-Methoxycarbonylphenyl)Isonicotinic acid, 95%
- 3-(3-METHOXYCARBONYLPHENYL)ISONICOTINIC ACID
- 3-[3-(Methoxycarbonyl)phenyl]pyridine-4-carboxylic acid
- DTXSID80687772
- MFCD18085859
- 3-(3-Methoxycarbonylphenyl)isonicotinic acid
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- Inchi： 1S/C14H11NO4/c1-19-14(18)10-4-2-3-9(7-10)12-8-15-6-5-11(12)13(16)17/h2-8H,1H3,(H,16,17)
- InChI Key： FIFVODPPZJHJLD-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=CC(=C1)C1C=NC=CC=1C(=O)O)=O
Computed Properties
- Exact Mass: 257.06880783Da
- Monoisotopic Mass: 257.06880783Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 344
- 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: 1.9
- Topological Polar Surface Area: 76.5?2
3-(3-Methoxycarbonylphenyl)isonicotinic acid Related Literature
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1. 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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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