Benzyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate - CAS 1175712-34-1
Catalog: |
BB061704 |
Product Name: |
Benzyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate |
CAS: |
1175712-34-1 |
Synonyms: |
4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane-2-propanoic-phenylmethyl Acid Ester |
IUPAC Name: | benzyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate |
Description: | Benzyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate |
Molecular Weight: | 290.16 |
Molecular Formula: | C16H23BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CCC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)11-10-14(18)19-12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3 |
InChI Key: | PIVUWPMJVNUMBB-UHFFFAOYSA-N |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.1689394 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.1689394 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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