Cas no 57186-07-9 (3,5-Pyrazolidinedione, 4,4-dimethyl-1-phenyl-)
57186-07-9 structure
Product Name:3,5-Pyrazolidinedione, 4,4-dimethyl-1-phenyl-
CAS No:57186-07-9
MF:C11H12N2O2
MW:204.225182533264
CID:346272
PubChem ID:15496517
Update Time:2025-04-19
3,5-Pyrazolidinedione, 4,4-dimethyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyrazolidinedione, 4,4-dimethyl-1-phenyl-
- 4,4-dimethyl-1-phenylpyrazolidine-3,5-dione
- HMS3432J22
- 57186-07-9
- SCHEMBL265915
- DTXSID30573318
- CCG-124616
- AKOS021610573
-
- Inchi： 1S/C11H12N2O2/c1-11(2)9(14)12-13(10(11)15)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,14)
- InChI Key： MYHPFUOKWCYFMS-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(NN1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 204.08996
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 293
- 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: 1.6
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.41
3,5-Pyrazolidinedione, 4,4-dimethyl-1-phenyl- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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