Cas no 5775-23-5 (7-Oxabicyclo[4.1.0]heptane, 1-phenyl-, (1S,6S)-)
![7-Oxabicyclo[4.1.0]heptane, 1-phenyl-, (1S,6S)- structure](https://ossimg.kuujia.com/scimg/6000/5775-23-5x500.png)
5775-23-5 structure
Product Name:7-Oxabicyclo[4.1.0]heptane, 1-phenyl-, (1S,6S)-
CAS No:5775-23-5
MF:C12H14O
MW:174.238963603973
CID:344314
PubChem ID:10997540
Update Time:2025-04-19
7-Oxabicyclo[4.1.0]heptane, 1-phenyl-, (1S,6S)- Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[4.1.0]heptane, 1-phenyl-, (1S,6S)-
- 5775-23-5
- DTXSID20451217
-
- Inchi： 1S/C12H14O/c1-2-6-10(7-3-1)12-9-5-4-8-11(12)13-12/h1-3,6-7,11H,4-5,8-9H2/t11-,12-/m0/s1
- InChI Key： DUDYJVLITCQGCP-RYUDHWBXSA-N
- SMILES： O1[C@H]2CCCC[C@@]12C1C=CC=CC=1
Computed Properties
- Exact Mass: 174.10452
- Monoisotopic Mass: 174.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53
7-Oxabicyclo[4.1.0]heptane, 1-phenyl-, (1S,6S)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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