Cas no 1517-49-3 (1-Propene-1,1-d2 (9CI))
1-Propene-1,1-d2 (9CI) structure
Product Name:1-Propene-1,1-d2 (9CI)
1-Propene-1,1-d2 (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propene-1,1-d2 (9CI)
- PROPENE-1,1-D2
- 1-Propene-
- 1-propene-1,1-d2
- 1-Propene-1,2,3-tricarboxylic acid, 3-methyl ester, (Z)-
- cis-aconitic acid methyl ester
- CTK1I3397
- CTK1I3398
- ethyl aconitate
- Propen-1,2,3-tricarbonsaeure-3-methylester
- Propen-1c,2,3-tricarbonsaeure-triaethylester
- propene-1,2,3-tricarboxylic acid-3-methyl ester
- propene-1c,2,3-tricarboxylic acid triethyl ester
- propene-1-d2
- trans-Aconitsaeure-triaethylester
- trans-Aconitsaeuretriethylester
- Propene-d2
- Propene-1,1-D2 (gas)
- Dideuteropropen
- 1517-49-3
- 1,1-Dideuterioprop-1-ene
-
- Inchi： 1S/C3H6/c1-3-2/h3H,1H2,2H3/i1D2
- InChI Key： QQONPFPTGQHPMA-DICFDUPASA-N
- SMILES： C/C=C(\[2H])/[2H]
Computed Properties
- Exact Mass: 46.07206
- Monoisotopic Mass: 44.06
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 3
- Rotatable Bond Count: 0
- Complexity: 7.5
- 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: 0A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 0
- LogP: 1.19230
1-Propene-1,1-d2 (9CI) Related Literature
-
Jihad Badra,Fethi Khaled,Binod Raj Giri,Aamir Farooq Phys. Chem. Chem. Phys. 2015 17 2421
-
Tatiana Otroshchenko,Ole Reinsdorf,David Linke,Evgenii V. Kondratenko Catal. Sci. Technol. 2019 9 5660
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