Cas no 89816-94-4 (Cyclohexanecarboxylic acid, 3-bromo-1-ethyl-2-oxo-, ethyl ester)
89816-94-4 structure
Product Name:Cyclohexanecarboxylic acid, 3-bromo-1-ethyl-2-oxo-, ethyl ester
CAS No:89816-94-4
MF:C11H17BrO3
MW:277.154883146286
CID:588215
PubChem ID:13162941
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 3-bromo-1-ethyl-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 3-bromo-1-ethyl-2-oxo-, ethyl ester
- ethyl 3-bromo-1-ethyl-2-oxocyclohexane-1-carboxylate
- DTXSID70523796
- 89816-94-4
- Ethyl 3-bromo-1-ethyl-2-oxocyclohexanecarboxylate
- starbld0019579
-
- Inchi： 1S/C11H17BrO3/c1-3-11(10(14)15-4-2)7-5-6-8(12)9(11)13/h8H,3-7H2,1-2H3
- InChI Key： DDGXHULAWSRWOP-UHFFFAOYSA-N
- SMILES： BrC1C(C(C(=O)OCC)(CC)CCC1)=O
Computed Properties
- Exact Mass: 276.03611g/mol
- Monoisotopic Mass: 276.03611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 43.4?2
Cyclohexanecarboxylic acid, 3-bromo-1-ethyl-2-oxo-, ethyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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