(Z)-(4-Ethoxy-4-oxo-2-buten-2-yl)boronic Acid Pinacol Ester - CAS 448212-00-8
Catalog: |
BB025711 |
Product Name: |
(Z)-(4-Ethoxy-4-oxo-2-buten-2-yl)boronic Acid Pinacol Ester |
CAS: |
448212-00-8 |
Synonyms: |
(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-butenoic acid ethyl ester; ethyl (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoate |
IUPAC Name: | ethyl (Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoate |
Description: | (Z)-(4-Ethoxy-4-oxo-2-buten-2-yl)boronic Acid Pinacol Ester (CAS# 448212-00-8 ) is a useful research chemical. |
Molecular Weight: | 240.10 |
Molecular Formula: | C12H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C(=CC(=O)OCC)C |
InChI: | InChI=1S/C12H21BO4/c1-7-15-10(14)8-9(2)13-16-11(3,4)12(5,6)17-13/h8H,7H2,1-6H3/b9-8+ |
InChI Key: | DFGFDUCQEBGHBQ-CMDGGOBGSA-N |
LogP: | 2.12720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3558966-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
JP-2020502180-A | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
US-2019322652-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
WO-2018116108-A1 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
US-10787442-B2 | Modulators of indoleamine 2,3-dioxygenase | 20161220 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 240.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.1532893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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