Cas no 57634-44-3 (2-Cyclobuten-1-one, 3-ethyl-2,4-dimethyl-)
57634-44-3 structure
Product Name:2-Cyclobuten-1-one, 3-ethyl-2,4-dimethyl-
CAS No:57634-44-3
MF:C8H12O
MW:124.180282592773
CID:344761
PubChem ID:71444037
Update Time:2025-04-19
2-Cyclobuten-1-one, 3-ethyl-2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclobuten-1-one, 3-ethyl-2,4-dimethyl-
- 3-ethyl-2,4-dimethylcyclobut-2-en-1-one
- 57634-44-3
- DTXSID90852838
-
- Inchi： 1S/C8H12O/c1-4-7-5(2)8(9)6(7)3/h5H,4H2,1-3H3
- InChI Key： XXFTUEXNBZQSAM-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(CC)C1C
Computed Properties
- Exact Mass: 124.08886
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclobuten-1-one, 3-ethyl-2,4-dimethyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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