Cas no 1261905-77-4 (5-(2,4-Dimethylphenyl)-2-methoxynicotinic acid)
1261905-77-4 structure
Product Name:5-(2,4-Dimethylphenyl)-2-methoxynicotinic acid
CAS No:1261905-77-4
MF:C15H15NO3
MW:257.284504175186
CID:2762567
PubChem ID:53222707
Update Time:2025-04-21
5-(2,4-Dimethylphenyl)-2-methoxynicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(2,4-DIMETHYLPHENYL)-2-METHOXYNICOTINIC ACID
- 5-(2,4-Dimethylphenyl)-2-methoxynicotinic acid, 95%
- MFCD18316893
- 1261905-77-4
- DTXSID40687076
- 5-(2,4-Dimethylphenyl)-2-methoxynicotinic acid
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- Inchi： 1S/C15H15NO3/c1-9-4-5-12(10(2)6-9)11-7-13(15(17)18)14(19-3)16-8-11/h4-8H,1-3H3,(H,17,18)
- InChI Key： DCYMTYANNWOJDB-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=O)O)C=C(C=N1)C1C=CC(C)=CC=1C
Computed Properties
- Exact Mass: 257.10519334Da
- Monoisotopic Mass: 257.10519334Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 321
- 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: 3
- Topological Polar Surface Area: 59.4?2
5-(2,4-Dimethylphenyl)-2-methoxynicotinic acid Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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