(Z)-2-Buten-2-ylboronic acid pinacol ester - CAS 91890-00-5
Catalog: |
BB054400 |
Product Name: |
(Z)-2-Buten-2-ylboronic acid pinacol ester |
CAS: |
91890-00-5 |
Synonyms: |
(Z)-2-(but-2-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[(Z)-but-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 182.07 |
Molecular Formula: | C10H19BO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C(=CC)C |
InChI: | InChI=1S/C10H19BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7H,1-6H3/b8-7+ |
InChI Key: | HEZPWTQUZJEVQF-BQYQJAHWSA-N |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 182.14781 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.14781 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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