Cas no 4748-86-1 (1,3-Cyclohexadiene-1-carboxaldehyde,6-methyl-)
4748-86-1 structure
Product Name:1,3-Cyclohexadiene-1-carboxaldehyde,6-methyl-
1,3-Cyclohexadiene-1-carboxaldehyde,6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexadiene-1-carboxaldehyde,6-methyl-
- 6-Methylcyclohexa-1,3-diene-1-carbaldehyde
- 4748-86-1
- EINECS 225-269-3
- DTXSID70963855
- 6-methylcyclohexa-1,3-dienecarbaldehyde
- NS00045035
-
- Inchi： 1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-3,5-7H,4H2,1H3
- InChI Key： UINSAUGFYNAHOP-UHFFFAOYSA-N
- SMILES： O=CC1=CC=CCC1C
Computed Properties
- Exact Mass: 122.0732
- Monoisotopic Mass: 122.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 1.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.038
- Boiling Point: 199.6°Cat760mmHg
- Flash Point: 72.4°C
- Refractive Index: 1.562
- PSA: 17.07
1,3-Cyclohexadiene-1-carboxaldehyde,6-methyl- Related Literature
-
Jasmine H. Sharp,Michael K. Winson,Joanne S. Porter Nat. Prod. Rep. 2007 24 659
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