Cas no 154012-19-8 (1H-Pyrazole-1-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester)
154012-19-8 structure
Product Name:1H-Pyrazole-1-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS No:154012-19-8
MF:C10H14N2O4
MW:226.229162693024
CID:1333521
PubChem ID:21628273
Update Time:2025-04-20
1H-Pyrazole-1-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester
- Ethyl 1-(2-ethoxy-2-oxoethyl)-1H-pyrazole-4-carboxylate
- DTXSID801248019
- 154012-19-8
- SCHEMBL12686028
- AKOS020076666
- DB-170879
- 1H-Pyrazole-1-acetic acid, 4-(ethoxycarbonyl)-, ethyl ester
- Ethyl 4-(ethoxycarbonyl)-1H-pyrazole-1-acetate
-
- Inchi： 1S/C10H14N2O4/c1-3-15-9(13)7-12-6-8(5-11-12)10(14)16-4-2/h5-6H,3-4,7H2,1-2H3
- InChI Key： YFSXQQYDUYROPJ-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C=C(C(=O)OCC)C=N1)=O
Computed Properties
- Exact Mass: 226.09542
- Monoisotopic Mass: 226.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 70.4?2
Experimental Properties
- PSA: 70.42
1H-Pyrazole-1-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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