Cas no 88398-84-9 (5-hydroxy-1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester)
88398-84-9 structure
Product Name:5-hydroxy-1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester
CAS No:88398-84-9
MF:C6H8N2O3
MW:156.139321327209
CID:634206
PubChem ID:13364385
Update Time:2025-04-19
5-hydroxy-1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 5-hydroxy-1-methyl-, methyl ester
- 5-hydroxy-1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester
- methyl 2-methyl-3-oxo-1H-pyrazole-4-carboxylate
- methyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate
- DTXSID80538356
- 88398-84-9
- EN300-1739889
- Methyl 2-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
- SCHEMBL9201765
-
- Inchi： 1S/C6H8N2O3/c1-8-5(9)4(3-7-8)6(10)11-2/h3,7H,1-2H3
- InChI Key： MIPTVUKFDHIIHA-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CNN(C)C1=O)=O
Computed Properties
- Exact Mass: 156.05349212g/mol
- Monoisotopic Mass: 156.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 234
- 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
- Topological Polar Surface Area: 58.6?2
5-hydroxy-1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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