Cas no 876508-60-0 (4-Pyrazolidineaceticacid, 3,5-dioxo-)
876508-60-0 structure
Product Name:4-Pyrazolidineaceticacid, 3,5-dioxo-
CAS No:876508-60-0
MF:C5H6N2O4
MW:158.112141132355
CID:709961
PubChem ID:45121243
Update Time:2025-04-19
4-Pyrazolidineaceticacid, 3,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrazolidineaceticacid, 3,5-dioxo-
- 2-(3,5-dioxopyrazolidin-4-yl)acetic acid
- DTXSID20669153
- (3,5-Dioxopyrazolidin-4-yl)acetic acid
- 4-Pyrazolidineacetic acid, 3,5-dioxo-
- 876508-60-0
-
- Inchi： 1S/C5H6N2O4/c8-3(9)1-2-4(10)6-7-5(2)11/h2H,1H2,(H,6,10)(H,7,11)(H,8,9)
- InChI Key： KANKKERZAPYZRY-UHFFFAOYSA-N
- SMILES： O=C1C(C(NN1)=O)CC(=O)O
Computed Properties
- Exact Mass: 158.033
- Monoisotopic Mass: 158.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 209
- 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
- Topological Polar Surface Area: 95.5A^2
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: -1.5
4-Pyrazolidineaceticacid, 3,5-dioxo- Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
876508-60-0 (4-Pyrazolidineaceticacid, 3,5-dioxo-) Related Products
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