Cas no 4505-54-8 (3-methylcyclopentane-1,2,4-trione)
4505-54-8 structure
Product Name:3-methylcyclopentane-1,2,4-trione
3-methylcyclopentane-1,2,4-trione Chemical and Physical Properties
Names and Identifiers
-
- 3-methylcyclopentane-1,2,4-trione
- 5-Methylcyclopentane-1,2,4-trione
- 1,4-Cyclopentanetrione, 3-methyl-
- 2-Methyl-1,3,4-trioxocyclopentane
- 2-Methyl-cyclopentantrion-(1.3.4)
- 2-Methyl-cyclopentantrion-(1.3.5)
- 3-METHYL-1,2,4-CYCLOPENTANETRIONE
- 3-Methyl-1,4-cyclopentanetrione
- 3-Methyl-1.2.4-trioxo-cyclopentan
- 3-Methyl-cyclopentan-1,2,4-trion
- 3-methyl-cyclopentane-1,2,4-trione
- 3-Methyl-cyclopentantrion-(1.2.4)
- AC1L2GLA
- CTK4I8612
- NSC150953
- DTXSID0021622
- NSC-403804
- NSC-150953
- NSC 150953
- UNII-3842P8E6WU
- NS00121450
- Q27256741
- 4505-54-8
- 3842P8E6WU
- A826709
- 1,2,4-Cyclopentanetrione, 3-methyl-
- NSC403804
- NSC 403804
-
- Inchi： 1S/C6H6O3/c1-3-4(7)2-5(8)6(3)9/h3H,2H2,1H3
- InChI Key： FUWXZDKUAHOVLL-UHFFFAOYSA-N
- SMILES： O=C1CC(C(C1C)=O)=O
Computed Properties
- Exact Mass: 126.03168
- Monoisotopic Mass: 126.031694049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 0
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
3-methylcyclopentane-1,2,4-trione Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
4505-54-8 (3-methylcyclopentane-1,2,4-trione) Related Products
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