Cas no 4680-01-7 (2H-PYRAN-2-OL, 3,4-DIHYDRO-)
2H-PYRAN-2-OL, 3,4-DIHYDRO- structure
Product Name:2H-PYRAN-2-OL, 3,4-DIHYDRO-
CAS No:4680-01-7
MF:C5H8O2
MW:100.115821838379
CID:4458011
PubChem ID:13861929
Update Time:2025-04-24
2H-PYRAN-2-OL, 3,4-DIHYDRO- Chemical and Physical Properties
Names and Identifiers
-
- 2H-PYRAN-2-OL, 3,4-DIHYDRO-
- DTXSID70551397
- 4680-01-7
- 3,4-Dihydro-2H-pyran-2-ol
- dihydropyranol
- SCHEMBL3917765
- DTXCID10502181
-
- Inchi： 1S/C5H8O2/c6-5-3-1-2-4-7-5/h2,4-6H,1,3H2
- InChI Key： UXXNOOGXRXCGEO-UHFFFAOYSA-N
- SMILES： O1C=CCCC1O
Computed Properties
- Exact Mass: 100.052429494g/mol
- Monoisotopic Mass: 100.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 78.1
- 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: 0.6
- Topological Polar Surface Area: 29.5?2
2H-PYRAN-2-OL, 3,4-DIHYDRO- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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