Cas no 29005-43-4 (3,5-Pyrazolidinedione,4,4-dimethyl-)
29005-43-4 structure
Product Name:3,5-Pyrazolidinedione,4,4-dimethyl-
CAS No:29005-43-4
MF:C5H8N2O2
MW:128.129220962524
CID:285949
PubChem ID:178246
Update Time:2025-04-19
3,5-Pyrazolidinedione,4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyrazolidinedione,4,4-dimethyl-
- 4,4-dimethyl-3,5-Pyrazolidinedione
- 4,4-dimethylpyrazolidine-3,5-dione
- 3,5-Pyrazolidinedione, 4,4-dimethyl-
- AKOS040824606
- SCHEMBL992963
- 4,4-Dimethyl-4H-pyrazole-3,5-diol
- DTXSID90951618
- 29005-43-4
- FT-0749377
-
- Inchi： 1S/C5H8N2O2/c1-5(2)3(8)6-7-4(5)9/h1-2H3,(H,6,8)(H,7,9)
- InChI Key： PGBXZDDHDXRVAV-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(NN1)=O
Computed Properties
- Exact Mass: 128.058577502g/mol
- Monoisotopic Mass: 128.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 156
- 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: -0.1
- Topological Polar Surface Area: 58.2?2
3,5-Pyrazolidinedione,4,4-dimethyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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