Cas no 131190-71-1 (5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid)
131190-71-1 structure
Product Name:5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:131190-71-1
MF:C12H10N2O4
MW:246.218802928925
CID:2662657
Update Time:2023-08-06
5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-Benzoyloxy-1-methyl-1H-pyrazole-3-carboxylic acid
- 5-benzoyloxy-1-methylpyrazole-3-carboxylic acid
- 5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid
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- Inchi： 1S/C12H10N2O4/c1-14-10(7-9(13-14)11(15)16)18-12(17)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
- InChI Key： BLVSGEOIZVGPGD-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C1=CC(C(=O)O)=NN1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 328
- Topological Polar Surface Area: 81.4
5-(Benzoyloxy)-1-methyl-1H-pyrazole-3-carboxylic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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