Cas no 1261905-89-8 (5-(4-Methoxy-3-methylphenyl)-2-methoxynicotinic acid)
1261905-89-8 structure
Product Name:5-(4-Methoxy-3-methylphenyl)-2-methoxynicotinic acid
CAS No:1261905-89-8
MF:C15H15NO4
MW:273.283904314041
CID:2762575
PubChem ID:53223254
Update Time:2025-04-21
5-(4-Methoxy-3-methylphenyl)-2-methoxynicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(4-METHOXY-3-METHYLPHENYL)-2-METHOXYNICOTINIC ACID
- 1261905-89-8
- MFCD18317393
- DTXSID80687494
- 5-(4-Methoxy-3-methylphenyl)-2-methoxynicotinic acid, 95%
- 5-(4-Methoxy-3-methylphenyl)-2-methoxynicotinic acid
-
- Inchi： 1S/C15H15NO4/c1-9-6-10(4-5-13(9)19-2)11-7-12(15(17)18)14(20-3)16-8-11/h4-8H,1-3H3,(H,17,18)
- InChI Key： VZOCEZDDVBJYIK-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=C(C=C1C)C1C=NC(=C(C(=O)O)C=1)OC
Computed Properties
- Exact Mass: 273.10010796Da
- Monoisotopic Mass: 273.10010796Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 336
- 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: 2.6
- Topological Polar Surface Area: 68.7?2
5-(4-Methoxy-3-methylphenyl)-2-methoxynicotinic acid Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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