Cas no 1261926-32-2 (5-(3,5-Dimethylphenyl)-2-methoxynicotinic acid)
1261926-32-2 structure
Product Name:5-(3,5-Dimethylphenyl)-2-methoxynicotinic acid
CAS No:1261926-32-2
MF:C15H15NO3
MW:257.284504175186
CID:2763952
PubChem ID:53222718
Update Time:2025-04-21
5-(3,5-Dimethylphenyl)-2-methoxynicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID90687086
- 5-(3,5-Dimethylphenyl)-2-methoxynicotinic acid, 95%
- 1261926-32-2
- MFCD18316904
- 5-(3,5-DIMETHYLPHENYL)-2-METHOXYNICOTINIC ACID
- 5-(3,5-Dimethylphenyl)-2-methoxynicotinic acid
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- Inchi： 1S/C15H15NO3/c1-9-4-10(2)6-11(5-9)12-7-13(15(17)18)14(19-3)16-8-12/h4-8H,1-3H3,(H,17,18)
- InChI Key： VAFFSYWBORPKGX-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=O)O)C=C(C=N1)C1C=C(C)C=C(C)C=1
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: 311
- 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-(3,5-Dimethylphenyl)-2-methoxynicotinic acid Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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