| CAS Number | 1447763-50-9 |
| Catalog Number | AG00HX7R |
| Chemical Name | 4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid |
| 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 |
| MDL Number | MFCD27981321 |
| Molecular Formula | C13H21BO4 |
| Molecular Weight | 252.1144 |
| SMILES | OC(=O)C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1447763-50-9,
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enecarboxylic acid,
4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester,
SCHEMBL15166664,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.117g/mol |
| Monoisotopic Mass | 252.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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