Cas no 50523-41-6 (Acetic acid, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, ethyl ester)
50523-41-6 structure
Product Name:Acetic acid, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, ethyl ester
CAS No:50523-41-6
MF:C13H20O2
MW:208.296704292297
CID:364725
PubChem ID:305756
Update Time:2025-04-19
Acetic acid, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Acetic acid, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, ethyl ester
- ethyl 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)acetate
- DTXSID70308242
- 50523-41-6
-
- Inchi： 1S/C13H20O2/c1-5-15-12(14)7-11-6-10(2)8-13(3,4)9-11/h6-7H,5,8-9H2,1-4H3
- InChI Key： UELCIBLKJPZHBR-UHFFFAOYSA-N
- SMILES： O(CC)C(C=C1C=C(C)CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 208.1464
- Monoisotopic Mass: 208.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Acetic acid, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, ethyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
50523-41-6 (Acetic acid, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, ethyl ester) Related Products
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