Cas no 66898-39-3 (3-ethyl-2H-chromen-2-one)
3-ethyl-2H-chromen-2-one structure
Product Name:3-ethyl-2H-chromen-2-one
CAS No:66898-39-3
MF:C11H10O2
MW:174.195903301239
CID:964860
PubChem ID:48226
Update Time:2025-04-19
3-ethyl-2H-chromen-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3-ethyl-2H-chromen-2-one
- 3-ethylchromen-2-one
- 2H-1-Benzopyran-2-one, 3-ethyl-
- 3-Aethyl-cumarin
- 3-Ethyl-2H-1-benzopyran-2-one
- 3-ethyl-chromen-2-one
- 3-Ethylcoumarin
- 3-Ethylcumarin
- AC1L2JN3
- BRN 0133158
- COUMARIN, 3-ETHYL-
- NSC20101
- NSC-20101
- AKOS006373853
- ethylco umarin
- NSC 20101
- DTXSID80217038
- SCHEMBL1619109
- 66898-39-3
-
- Inchi： 1S/C11H10O2/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h3-7H,2H2,1H3
- InChI Key： LKAXCASKXOSFIU-UHFFFAOYSA-N
- SMILES： O1C(C(=CC2C=CC=CC1=2)CC)=O
Computed Properties
- Exact Mass: 174.0681
- Monoisotopic Mass: 174.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 243
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.7
Experimental Properties
- Density: 1.0844 (rough estimate)
- Melting Point: 72.3°C
- Boiling Point: 299°C (estimate)
- Flash Point: 126.7°C
- Refractive Index: 1.5520 (estimate)
- PSA: 26.3
3-ethyl-2H-chromen-2-one Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
66898-39-3 (3-ethyl-2H-chromen-2-one) Related Products
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