Cas no 61198-49-0 (2H-Pyran-2-one, tetrahydro-4-phenyl-, (4S)-)
61198-49-0 structure
Product Name:2H-Pyran-2-one, tetrahydro-4-phenyl-, (4S)-
CAS No:61198-49-0
MF:C11H12O2
MW:176.211783409119
CID:488794
PubChem ID:11171280
Update Time:2025-04-19
2H-Pyran-2-one, tetrahydro-4-phenyl-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, tetrahydro-4-phenyl-, (4S)-
- (4S)-4-phenyloxan-2-one
- 61198-49-0
- AKOS006308577
- DTXSID90457544
-
- Inchi： 1S/C11H12O2/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
- InChI Key： ONMHULVUDDUGQF-JTQLQIEISA-N
- SMILES： O1C(C[C@@H](C2C=CC=CC=2)CC1)=O
Computed Properties
- Exact Mass: 176.08376
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2H-Pyran-2-one, tetrahydro-4-phenyl-, (4S)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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2. 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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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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