Cas no 57276-03-6 (4H-Pyran-4-one,2-ethyl-6-methyl-(9CI))
57276-03-6 structure
Product Name:4H-Pyran-4-one,2-ethyl-6-methyl-(9CI)
CAS No:57276-03-6
MF:C8H10O2
MW:138.163802623749
CID:946736
PubChem ID:586650
Update Time:2025-04-19
4H-Pyran-4-one,2-ethyl-6-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one,2-ethyl-6-methyl-(9CI)
- SCHEMBL1176772
- 2-Ethyl-6-methyl-4H-pyran-4-one #
- DB-325022
- 4H-Pyran-4-one, 2-ethyl-6-methyl-
- 57276-03-6
- NMRHPBSBNRARIR-UHFFFAOYSA-N
-
- Inchi： 1S/C8H10O2/c1-3-8-5-7(9)4-6(2)10-8/h4-5H,3H2,1-2H3
- InChI Key： NMRHPBSBNRARIR-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C=C1CC)=O
Computed Properties
- Exact Mass: 138.068079557g/mol
- Monoisotopic Mass: 138.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 0.5
- Topological Polar Surface Area: 26.3?2
4H-Pyran-4-one,2-ethyl-6-methyl-(9CI) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
57276-03-6 (4H-Pyran-4-one,2-ethyl-6-methyl-(9CI)) Related Products
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