Cas no 106031-46-3 (Hepta-4,6-diyn-3-ol)
Hepta-4,6-diyn-3-ol structure
Product Name:Hepta-4,6-diyn-3-ol
CAS No:106031-46-3
MF:C7H8O
MW:108.137822151184
CID:1169189
PubChem ID:11029779
Update Time:2025-04-20
Hepta-4,6-diyn-3-ol Chemical and Physical Properties
Names and Identifiers
-
- Hepta-4,6-diyn-3-ol
- SCHEMBL3124505
- 106031-46-3
- DTXSID30452412
- 1,3-heptadiyn-5-ol
- 4,6-Heptadiyn-3-ol
-
- Inchi： 1S/C7H8O/c1-3-5-6-7(8)4-2/h1,7-8H,4H2,2H3
- InChI Key： FWRAKQJZBBSDNE-UHFFFAOYSA-N
- SMILES： OC(C#CC#C)CC
Computed Properties
- Exact Mass: 108.05754
- Monoisotopic Mass: 108.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 159
- 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
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Hepta-4,6-diyn-3-ol Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
106031-46-3 (Hepta-4,6-diyn-3-ol) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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