Cas no 663616-39-5 (1H-Pyrazole-1-acetic acid, 5-amino-3-(4-methoxyphenyl)-)
663616-39-5 structure
Product Name:1H-Pyrazole-1-acetic acid, 5-amino-3-(4-methoxyphenyl)-
CAS No:663616-39-5
MF:C12H13N3O3
MW:247.249922513962
CID:1708831
Update Time:2024-08-31
1H-Pyrazole-1-acetic acid, 5-amino-3-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-acetic acid, 5-amino-3-(4-methoxyphenyl)-
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- Inchi： 1S/C12H13N3O3/c1-18-9-4-2-8(3-5-9)10-6-11(13)15(14-10)7-12(16)17/h2-6H,7,13H2,1H3,(H,16,17)
- InChI Key： FNPTWGWSVIIBQU-UHFFFAOYSA-N
- SMILES： N1(CC(O)=O)C(N)=CC(C2=CC=C(OC)C=C2)=N1
Computed Properties
- Exact Mass: 247.09579
Experimental Properties
- Density: 1.36±0.1 g/cm3(Predicted)
- Boiling Point: 526.1±50.0 °C(Predicted)
- PSA: 90.37
- pka: 2.45±0.10(Predicted)
1H-Pyrazole-1-acetic acid, 5-amino-3-(4-methoxyphenyl)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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