Cas no 845675-32-3 (1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1,4-dimethyl-)
845675-32-3 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1,4-dimethyl-
CAS No:845675-32-3
MF:C6H8N2O3
MW:156.139321327209
CID:989472
PubChem ID:45121263
Update Time:2025-04-20
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1,4-dimethyl-
- 1H-PYRAZOLE-3-CARBOXYLIC ACID,5-HYDROXY-1,4-DIMETHYL-
- 845675-32-3
- 2,4-dimethyl-3-oxo-1H-pyrazole-5-carboxylic acid
- FT-0754361
- 5-hydroxy-1,4-dimethyl-1H-Pyrazole-3-carboxylic acid
- DA-02453
-
- Inchi： 1S/C6H8N2O3/c1-3-4(6(10)11)7-8(2)5(3)9/h7H,1-2H3,(H,10,11)
- InChI Key： GIMRVHNAWPKYIR-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(C(=O)O)NN1C
Computed Properties
- Exact Mass: 156.053
- Monoisotopic Mass: 156.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 257
- 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: 69.6A^2
- XLogP3: 0
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1,4-dimethyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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