Cas no 111782-87-7 (4H-Pyran-4-one, 2-ethyl-3-(phenylmethoxy)-)
111782-87-7 structure
Product Name:4H-Pyran-4-one, 2-ethyl-3-(phenylmethoxy)-
CAS No:111782-87-7
MF:C14H14O3
MW:230.259164333344
CID:1199427
PubChem ID:10585542
Update Time:2025-04-20
4H-Pyran-4-one, 2-ethyl-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one, 2-ethyl-3-(phenylmethoxy)-
- 2-ethyl-3-phenylmethoxypyran-4-one
- PPUKUGYJPWUOQF-UHFFFAOYSA-N
- 3-Benzyloxy-2-ethyl -4-pyrone
- 3-benzyloxy-2-ethyl-4-pyrone
- 111782-87-7
- SCHEMBL990135
- DTXSID00442123
-
- Inchi： 1S/C14H14O3/c1-2-13-14(12(15)8-9-16-13)17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
- InChI Key： PPUKUGYJPWUOQF-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C(C=COC=1CC)=O
Computed Properties
- Exact Mass: 230.09432
- Monoisotopic Mass: 230.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 39.44
4H-Pyran-4-one, 2-ethyl-3-(phenylmethoxy)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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