Cas no 2655-48-3 (3-Pyrazolidinone,2-acetyl-4-methyl-1-phenyl-)
2655-48-3 structure
Product Name:3-Pyrazolidinone,2-acetyl-4-methyl-1-phenyl-
CAS No:2655-48-3
MF:C12H14N2O2
MW:218.251762866974
CID:278958
PubChem ID:102866
Update Time:2025-04-19
3-Pyrazolidinone,2-acetyl-4-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrazolidinone,2-acetyl-4-methyl-1-phenyl-
- 2-acetyl-4-methyl-1-phenylpyrazolidin-3-one
- NS00049492
- 1-Phenyl-2-acetyl-4-methyl-3-pyrazolidone
- 2655-48-3
- DTXSID60949401
- EINECS 220-184-8
-
- Inchi： 1S/C12H14N2O2/c1-9-8-13(11-6-4-3-5-7-11)14(10(2)15)12(9)16/h3-7,9H,8H2,1-2H3
- InChI Key： BPNPRBBKUKZUCD-UHFFFAOYSA-N
- SMILES： O=C1C(C)CN(C2C=CC=CC=2)N1C(C)=O
Computed Properties
- Exact Mass: 218.10562
- Monoisotopic Mass: 218.105528
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 297
- 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
- Topological Polar Surface Area: 40.6
- XLogP3: 1.8
Experimental Properties
- Density: 1.194
- Boiling Point: 321.4°Cat760mmHg
- Flash Point: 134.5°C
- Refractive Index: 1.564
- PSA: 40.62
3-Pyrazolidinone,2-acetyl-4-methyl-1-phenyl- 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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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