Cas no 923283-71-0 (1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-4-nitro-, methyl ester)
923283-71-0 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-4-nitro-, methyl ester
CAS No:923283-71-0
MF:C7H9N3O5
MW:215.163461446762
CID:737845
PubChem ID:68365037
Update Time:2025-04-19
1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-4-nitro-, methyl ester
- methyl 2-(2-hydroxyethyl)-4-nitropyrazole-3-carboxylate
- 923283-71-0
- DTXSID60738251
- SCHEMBL12725198
- Methyl 1-(2-hydroxyethyl)-4-nitro-1H-pyrazole-5-carboxylate
-
- Inchi： 1S/C7H9N3O5/c1-15-7(12)6-5(10(13)14)4-8-9(6)2-3-11/h4,11H,2-3H2,1H3
- InChI Key： UPFFKFFUWFHPMX-UHFFFAOYSA-N
- SMILES： OCCN1C(C(=O)OC)=C(C=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 215.05422040g/mol
- Monoisotopic Mass: 215.05422040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 254
- 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: -0.5
- Topological Polar Surface Area: 110?2
1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-4-nitro-, methyl ester Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
923283-71-0 (1H-Pyrazole-5-carboxylic acid, 1-(2-hydroxyethyl)-4-nitro-, methyl ester) Related Products
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