Cas no 358731-97-2 (2-Butene-1,1,1,4,4,4-d6(9CI))
2-Butene-1,1,1,4,4,4-d6(9CI) structure
Product Name:2-Butene-1,1,1,4,4,4-d6(9CI)
CAS No:358731-97-2
MF:C4H8
MW:62.1432914733887
CID:303247
PubChem ID:131878419
Update Time:2025-04-19
2-Butene-1,1,1,4,4,4-d6(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Butene-1,1,1,4,4,4-d6(9CI)
- 2-BUTENE-1,1,1,4,4,4-D6
- 2-Butene-1,1,1,4,4,4-D6 (gas)
- DTXSID101313740
- 358731-97-2
-
- Inchi： 1S/C4H8/c1-3-4-2/h3-4H,1-2H3/i1D3,2D3
- InChI Key： IAQRGUVFOMOMEM-WFGJKAKNSA-N
- SMILES： C(C([2H])([2H])[2H])=CC([2H])([2H])[2H]
Computed Properties
- Exact Mass: 62.1
- Monoisotopic Mass: 62.1
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 15.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- LogP: 1.58240
2-Butene-1,1,1,4,4,4-d6(9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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