4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-Yl)cyclohex-3-enol - CAS 1310384-24-7
Catalog: |
BB056810 |
Product Name: |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-Yl)cyclohex-3-enol |
CAS: |
1310384-24-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-enol; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol; 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol; (4-HYDROXYCYCLOHEX-1-EN-1-YL)BORONIC ACID PINACOL ESTER; 3-Cyclohexen-1-ol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol |
Description: | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-Yl)cyclohex-3-enol can be used to treat FGFR-mediated diseases. |
Molecular Weight: | 224.1 |
Molecular Formula: | C12H21BO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)O |
InChI: | InChI=1S/C12H21BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5,10,14H,6-8H2,1-4H3 |
InChI Key: | CJCRPHXXLKDDES-UHFFFAOYSA-N |
References: | Vechorkin, O., et.al. U.S. Pat. Appl. Publ., 176, (2021). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.1583747 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.1583747 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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