Cas no 876-83-5 (2-methylindene-1,3-dione)
2-methylindene-1,3-dione structure
Product Name:2-methylindene-1,3-dione
2-methylindene-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-methylindene-1,3-dione
- 2-methyl-indene-1,3-dione
- 2-Methyl-1,3-indandione
- 2-Methyl-1,3-indanedione
- BRN 1563677
- 2-1,3-Methyl-indandion
- 2-methyl-indan-1,3-dione
- 2-methyl-1H-indene-1,3(2H)-dione
- 2-methylindan-1,3-dione
- 1H-indene-1,3(2H)-dione, 2-methyl-
- 1,3-Indandione, 2-methyl-
- 2-methylindane-1,3-dione
- AN-584
- NSC-56892
- 98JL425SNB
- UNII-98JL425SNB
- 1H-Indene-1, 2-methyl-
- CHEMBL37772
- NSC 56892
- METHYL-1,3-INDANDIONE, 2-
- 4-07-00-02348 (Beilstein Handbook Reference)
- NSC56892
- 876-83-5
- VBTBCNRVYWGDPP-UHFFFAOYSA-N
- AKOS006344267
- SCHEMBL677629
- DTXCID00159002
- 2-methyl-2,3-dihydro-1H-indene-1,3,dione
- DTXSID70236511
-
- Inchi： 1S/C10H8O2/c1-6-9(11)7-4-2-3-5-8(7)10(6)12/h2-6H,1H3
- InChI Key： VBTBCNRVYWGDPP-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C1C)=O
Computed Properties
- Exact Mass: 160.052429494Da
- Monoisotopic Mass: 160.052429494Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 208
- 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: 1.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.0538 (rough estimate)
- Melting Point: 83.5°C
- Boiling Point: 226.06°C (rough estimate)
- Refractive Index: 1.4108 (estimate)
2-methylindene-1,3-dione Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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