Cas no 1197-20-2 (1,2-Propanedione,1-(5-methyl-2-furanyl)-)
1197-20-2 structure
Product Name:1,2-Propanedione,1-(5-methyl-2-furanyl)-
1,2-Propanedione,1-(5-methyl-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanedione,1-(5-methyl-2-furanyl)-
- 1-(5-methyl-2-furyl)propane-1,2-dione
- 1-(5-methylfuran-2-yl)propane-1,2-dione
- 1-(5-Methyl-2-furanyl)-1,2-propanedione
- DTXSID10152549
- 1197-20-2
- 1-(5-methyl-2-furyI)-1,2-propanedione
- 1,2-Propanedione, 1-(5-methyl-2-furanyl)-
- 1R75B93FCI
- CSILYJHAPLAXTQ-UHFFFAOYSA-N
- NS00023875
- 1,2-PROPANEDIONE, 1-(5-METHYL-2-FURYL)-
- 1-(5-methyluran-2-yl)propane-1,2-dione
- CHEBI:173649
- EINECS 214-820-3
- UNII-1R75B93FCI
- SCHEMBL11539386
- Q27252790
-
- Inchi： 1S/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3
- InChI Key： CSILYJHAPLAXTQ-UHFFFAOYSA-N
- SMILES： O1C(C)=CC=C1C(C(C)=O)=O
Computed Properties
- Exact Mass: 152.04734
- Monoisotopic Mass: 152.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 186
- 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
- Topological Polar Surface Area: 47.3A^2
- Surface Charge: 0
- Tautomer Count: 8
- XLogP3: 1.1
Experimental Properties
- Density: 1.138
- Boiling Point: 231.3°Cat760mmHg
- Flash Point: 99°C
- Refractive Index: 1.481
- PSA: 47.28
1,2-Propanedione,1-(5-methyl-2-furanyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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