Cas no 782501-73-9 (1H-Pyrazole-4-carboxylic acid, 1-(2-hydroxyethyl)-, ethyl ester)
782501-73-9 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1-(2-hydroxyethyl)-, ethyl ester
CAS No:782501-73-9
MF:C8H12N2O3
MW:184.192481994629
CID:534811
PubChem ID:127262531
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 1-(2-hydroxyethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 1-(2-hydroxyethyl)-, ethyl ester
- ethyl 1-(2-hydroxyethyl)pyrazole-4-carboxylate
- 4-Hydroxybutan-2-yl 1H-pyrazole-4-carboxylate
- 782501-73-9
-
- Inchi： 1S/C8H12N2O3/c1-6(2-3-11)13-8(12)7-4-9-10-5-7/h4-6,11H,2-3H2,1H3,(H,9,10)
- InChI Key： QCTPZFFSEBLKFZ-UHFFFAOYSA-N
- SMILES： O(C(C1C=NNC=1)=O)C(C)CCO
Computed Properties
- Exact Mass: 184.08479225g/mol
- Monoisotopic Mass: 184.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 75.2?2
1H-Pyrazole-4-carboxylic acid, 1-(2-hydroxyethyl)-, ethyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jason Wan Lab Chip, 2020,20, 4528-4538
782501-73-9 (1H-Pyrazole-4-carboxylic acid, 1-(2-hydroxyethyl)-, ethyl ester) Related Products
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