Cas no 22319-24-0 (2-Hepten-4-one,2-methyl-)
2-Hepten-4-one,2-methyl- structure
Product Name:2-Hepten-4-one,2-methyl-
2-Hepten-4-one,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hepten-4-one,2-methyl-
- 2-methylhept-2-en-4-one
- 2-Hepten-4-one, 2-Me
- 2-Methyl-2-hepten-4-one
- AKOS017730460
- DTXSID30176863
- 22319-24-0
- 2-methyl-hept-2-en-4-one
- 2-Hepten-4-one, 2-methyl-
- SCHEMBL4391467
-
- Inchi： 1S/C8H14O/c1-4-5-8(9)6-7(2)3/h6H,4-5H2,1-3H3
- InChI Key： FKMGZMDLSNOJPQ-UHFFFAOYSA-N
- SMILES： O=C(/C=C(\C)/C)CCC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 119
- 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: 17.1
- XLogP3: 2.2
Experimental Properties
- Density: 0.835
- Boiling Point: 179.3°C at 760 mmHg
- Flash Point: 59.9°C
- Refractive Index: 1.43
- PSA: 17.07
2-Hepten-4-one,2-methyl- Related Literature
-
Soundararajan Gopinath,P. K. Devan,K. Pitchandi RSC Adv. 2020 10 37266
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