(E)-3-Acetoxy-1-propenylboronic Acid Pinacol Ester - CAS 161395-97-7
Catalog: |
BB011740 |
Product Name: |
(E)-3-Acetoxy-1-propenylboronic Acid Pinacol Ester |
CAS: |
161395-97-7 |
Synonyms: |
acetic acid [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] ester; [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] acetate |
IUPAC Name: | [(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] acetate |
Description: | (E)-3-Acetoxy-1-propenylboronic Acid Pinacol Ester (CAS# 161395-97-7) is a useful research chemical. |
Molecular Weight: | 226.08 |
Molecular Formula: | C11H19O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C=CCOC(=O)C |
InChI: | InChI=1S/C11H19BO4/c1-9(13)14-8-6-7-12-15-10(2,3)11(4,5)16-12/h6-7H,8H2,1-5H3/b7-6+ |
InChI Key: | ZXBRLGZFCXGTBA-VOTSOKGWSA-N |
Boiling Point: | 250.4 °C at 760 mmHg |
Density: | 1.01 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD03788751 |
LogP: | 1.73710 |
Publication Number | Title | Priority Date |
CA-2782889-A1 | Aminopyrimidines as syk inhibitors | 20091217 |
CA-2782889-C | Aminopyrimidines as syk inhibitors | 20091217 |
EP-2513098-A1 | Aminopyrimidines as syk inhibitors | 20091217 |
JP-2013514370-A | Aminopyrimidines as Syk inhibitors | 20091217 |
JP-5242857-B2 | Aminopyrimidines as Syk inhibitors | 20091217 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 226.1376392 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.1376392 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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