Cas no 6112-47-6 (3-Pyrazolidinone, 5-methyl-1-phenyl-)
6112-47-6 structure
Product Name:3-Pyrazolidinone, 5-methyl-1-phenyl-
CAS No:6112-47-6
MF:C10H12N2O
MW:176.215082168579
CID:491297
PubChem ID:4414330
Update Time:2025-04-19
3-Pyrazolidinone, 5-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrazolidinone, 5-methyl-1-phenyl-
- 5-methyl-1-phenylpyrazolidin-3-one
- 5-methyl-1-phenyl-3-pyrazolidinone
- 6112-47-6
- AKOS024334134
- SCHEMBL265233
- DTXSID60403018
- FIARATPVIIDWJT-UHFFFAOYSA-N
-
- Inchi： 1S/C10H12N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)
- InChI Key： FIARATPVIIDWJT-UHFFFAOYSA-N
- SMILES： O=C1CC(C)N(C2C=CC=CC=2)N1
Computed Properties
- Exact Mass: 176.09506
- Monoisotopic Mass: 176.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 199
- 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: 1.7
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
3-Pyrazolidinone, 5-methyl-1-phenyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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