Cas no 61453-47-2 (1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester)
![1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/61500/61453-47-2x500.png)
61453-47-2 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester
CAS No:61453-47-2
MF:C8H10N2O4
MW:198.176002025604
CID:478764
PubChem ID:12296157
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester
- methyl 4-(acetyloxymethyl)-1H-pyrazole-5-carboxylate
- 61453-47-2
- DTXSID10485581
-
- Inchi： 1S/C8H10N2O4/c1-5(11)14-4-6-3-9-10-7(6)8(12)13-2/h3H,4H2,1-2H3,(H,9,10)
- InChI Key： JRAQCXUSIFAOAW-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1C=NNC=1C(=O)OC
Computed Properties
- Exact Mass: 198.0641
- Monoisotopic Mass: 198.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 231
- 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: 0.1
- Topological Polar Surface Area: 81.3?2
Experimental Properties
- PSA: 81.28
1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
61453-47-2 (1H-Pyrazole-3-carboxylic acid, 4-[(acetyloxy)methyl]-, methyl ester) Related Products
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