Cas no 890597-25-8 (3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid)
890597-25-8 structure
Product Name:3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CAS No:890597-25-8
MF:C11H16N2O3
MW:224.256342887878
CID:1086610
PubChem ID:2984081
Update Time:2025-04-20
3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
- 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid(SALTDATA: FREE)
- 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)butanoic acid
- AKOS016040037
- SMR000082701
- 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoicacid
- VU0508579-1
- CBKinase1_024274
- NCGC00061069-02
- CBKinase1_011874
- AKOS000270515
- 3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic
- SCHEMBL15330758
- MFCD06008200
- F3083-0094
- MLS000100378
- CHEMBL1485066
- DTXSID30388085
- HMS2300I22
- 890597-25-8
-
- MDL： MFCD06008200
- Inchi： 1S/C11H16N2O3/c1-6(5-10(15)16)13-8(3)11(9(4)14)7(2)12-13/h6H,5H2,1-4H3,(H,15,16)
- InChI Key： UHEKEXSWYZMSDA-UHFFFAOYSA-N
- SMILES： OC(CC(C)N1C(C)=C(C(C)=O)C(C)=N1)=O
Computed Properties
- Exact Mass: 224.11609238g/mol
- Monoisotopic Mass: 224.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 293
- 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: 0.6
- Topological Polar Surface Area: 72.2?2
Experimental Properties
- Density: 1.21
- Boiling Point: 386°C at 760 mmHg
- Flash Point: 187.2°C
- Refractive Index: 1.556
3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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