(E)-2-tert-Butylvinylboronic Acid - CAS 86595-37-1
Catalog: |
BB037993 |
Product Name: |
(E)-2-tert-Butylvinylboronic Acid |
CAS: |
86595-37-1 |
Synonyms: |
[(E)-3,3-dimethylbut-1-enyl]boronic acid; [(E)-3,3-dimethylbut-1-enyl]boronic acid |
IUPAC Name: | [(E)-3,3-dimethylbut-1-enyl]boronic acid |
Description: | (E)-2-tert-Butylvinylboronic Acid (CAS# 86595-37-1) is a useful research chemical. |
Molecular Weight: | 127.98 |
Molecular Formula: | C6H13O2B |
Canonical SMILES: | B(C=CC(C)(C)C)(O)O |
InChI: | InChI=1S/C6H13BO2/c1-6(2,3)4-5-7(8)9/h4-5,8-9H,1-3H3/b5-4+ |
InChI Key: | CTIWKIMYFQSVBZ-SNAWJCMRSA-N |
Boiling Point: | 212.4 °C at 760 mmHg |
Density: | 0.926 g/cm3 |
MDL: | MFCD01074624 |
LogP: | 0.60070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2021030556-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20190814 |
CN-109893468-A | A kind of Anti-hair loss dandruff control shampoo containing and preparation method thereof | 20190415 |
WO-2020210761-A1 | Boron-containing cyclic emissive compounds and color conversion film containing the same | 20190412 |
US-2020239437-A1 | Substituted indole compounds useful as inhibitors of tlr7/8/9 | 20170804 |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 128.1008598 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.1008598 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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