Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate - CAS 1198615-84-7
Catalog: |
BB065503 |
Product Name: |
Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate |
CAS: |
1198615-84-7 |
Synonyms: |
Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate; ethyl 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate |
IUPAC Name: | ethyl 3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate |
Molecular Weight: | 304.19 |
Molecular Formula: | C17H25BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CCC(=O)OCC |
InChI: | InChI=1S/C17H25BO4/c1-6-20-15(19)12-11-13-9-7-8-10-14(13)18-21-16(2,3)17(4,5)22-18/h7-10H,6,11-12H2,1-5H3 |
InChI Key: | UFNHTIVEXCXWJJ-UHFFFAOYSA-N |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.1845894 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.1845894 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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