Cas no 56699-62-8 (3-Heptyn-2-ol)
3-Heptyn-2-ol structure
Product Name:3-Heptyn-2-ol
CAS No:56699-62-8
MF:C7H12O
MW:112.169582366943
CID:348083
PubChem ID:12936897
Update Time:2025-04-19
3-Heptyn-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptyn-2-ol
- hept-3-yn-2-ol
- AKOS024288425
- DTXSID90513417
- SCHEMBL4520290
- 56699-62-8
-
- Inchi： 1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3-4H2,1-2H3
- InChI Key： AGSTXVGLHQAXQK-UHFFFAOYSA-N
- SMILES： OC(C#CCCC)C
Computed Properties
- Exact Mass: 112.08886
- Monoisotopic Mass: 112.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 104
- 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: 1.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8469 (estimate)
- Melting Point: -20.62°C (estimate)
- Boiling Point: 180.13°C (rough estimate)
- Refractive Index: 1.4314 (estimate)
- PSA: 20.23
3-Heptyn-2-ol Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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