4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester - CAS 1447763-50-9
Catalog: |
BB070617 |
Product Name: |
4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester |
CAS: |
1447763-50-9 |
Synonyms: |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enecarboxylic acid; 4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester; 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid |
Molecular Weight: | 252.11 |
Molecular Formula: | C13H21BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(=O)O |
InChI: | InChI=1S/C13H21BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h7,9H,5-6,8H2,1-4H3,(H,15,16) |
InChI Key: | TVALPBGGKJPQPW-UHFFFAOYSA-N |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1532893 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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