Cas no 491831-88-0 (1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI))
491831-88-0 structure
Product Name:1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI)
CAS No:491831-88-0
MF:C9H12N2O3
MW:196.203182220459
CID:1017591
PubChem ID:840135
Update Time:2025-04-20
1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI)
- ChemDiv3_005362
- AKOS001691544
- STK418823
- IDI1_023272
- Butyric acid, 4-(3,5-dimethylpyrazol-1-yl)-4-oxo-
- 4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
- JOJPZJUVODJARC-UHFFFAOYSA-N
- CCG-115975
- EU-0016546
- 491831-88-0
- 4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoic acid
- HMS1488D16
-
- MDL： MFCD01349080
- Inchi： 1S/C9H12N2O3/c1-6-5-7(2)11(10-6)8(12)3-4-9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
- InChI Key： JOJPZJUVODJARC-UHFFFAOYSA-N
- SMILES： O=C(CCC(=O)O)N1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 196.08479225g/mol
- Monoisotopic Mass: 196.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 242
- 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: 0.3
- Topological Polar Surface Area: 72.2?2
1H-Pyrazole-1-butanoicacid,3,5-dimethyl-gamma-oxo-(9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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