Cas no 892878-59-0 (3-Fluoro-4-hydroxy-5-methylbenzoic acid)
892878-59-0 structure
Product Name:3-Fluoro-4-hydroxy-5-methylbenzoic acid
CAS No:892878-59-0
MF:C8H7FO3
MW:170.137786149979
CID:714532
PubChem ID:45120101
Update Time:2024-03-01
3-Fluoro-4-hydroxy-5-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-fluoro-4-hydroxy-5-methyl-
- 3-fluoro-4-hydroxy-5-methylbenzoic acid
- 3-Fluoro-4-hydroxy-5-methylbenzoic acid
-
- Inchi： 1S/C8H7FO3/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3,10H,1H3,(H,11,12)
- InChI Key： RUIQTJCKSUQPHU-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=O)O)C=C(C)C=1O
Computed Properties
- Exact Mass: 170.038
- Monoisotopic Mass: 170.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 183
- 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
- Topological Polar Surface Area: 57.5
- XLogP3: 1.6
3-Fluoro-4-hydroxy-5-methylbenzoic 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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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