Cas no 89237-57-0 (Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl-)
![Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl- structure](https://ossimg.kuujia.com/scimg/89500/89237-57-0x500.png)
89237-57-0 structure
Product Name:Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl-
CAS No:89237-57-0
MF:C12H18O
MW:178.270723819733
CID:607430
PubChem ID:13181039
Update Time:2025-04-19
Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl-
- 3-ethyl-4-methylspiro[4.4]non-3-en-2-one
- 89237-57-0
- DTXSID40525186
-
- Inchi： 1S/C12H18O/c1-3-10-9(2)12(8-11(10)13)6-4-5-7-12/h3-8H2,1-2H3
- InChI Key： OBCUBELPBWKFTC-UHFFFAOYSA-N
- SMILES： O=C1C(CC)=C(C)C2(C1)CCCC2
Computed Properties
- Exact Mass: 178.135765193g/mol
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 267
- 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: 3
- Topological Polar Surface Area: 17.1?2
Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
89237-57-0 (Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl-) Related Products
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