Cas no 111493-69-7 (1H-Pyrazole-4-carboxylic acid, 3-(methoxymethyl)-1-methyl-, ethyl ester)
111493-69-7 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3-(methoxymethyl)-1-methyl-, ethyl ester
CAS No:111493-69-7
MF:C9H14N2O3
MW:198.219062328339
CID:1203238
PubChem ID:15933800
Update Time:2025-04-20
1H-Pyrazole-4-carboxylic acid, 3-(methoxymethyl)-1-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxylic acid, 3-(methoxymethyl)-1-methyl-, ethyl ester
- ethyl 3-(methoxymethyl)-1-methyl-1H-pyrazole-4-carboxylate
- 111493-69-7
-
- Inchi： 1S/C9H14N2O3/c1-4-14-9(12)7-5-11(2)10-8(7)6-13-3/h5H,4,6H2,1-3H3
- InChI Key： NAGUTTJCOWKKEZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN(C)N=C1COC)=O
Computed Properties
- Exact Mass: 198.10044231g/mol
- Monoisotopic Mass: 198.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 199
- 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: 53.4?2
1H-Pyrazole-4-carboxylic acid, 3-(methoxymethyl)-1-methyl-, ethyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
111493-69-7 (1H-Pyrazole-4-carboxylic acid, 3-(methoxymethyl)-1-methyl-, ethyl ester) Related Products
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