3-Formyl-5-propoxyphenylboronic acid - CAS 871125-80-3
Catalog: |
BB038260 |
Product Name: |
3-Formyl-5-propoxyphenylboronic acid |
CAS: |
871125-80-3 |
Synonyms: |
(3-formyl-5-propoxyphenyl)boronic acid |
IUPAC Name: | (3-formyl-5-propoxyphenyl)boronic acid |
Description: | 3-Formyl-5-propoxyphenylboronic acid (CAS# 871125-80-3) is a useful research chemical. |
Molecular Weight: | 208.02 |
Molecular Formula: | C10H13BO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1)OCCC)C=O)(O)O |
InChI: | InChI=1S/C10H13BO4/c1-2-3-15-10-5-8(7-12)4-9(6-10)11(13)14/h4-7,13-14H,2-3H2,1H3 |
InChI Key: | MPQVVDQADAGQCM-UHFFFAOYSA-N |
Boiling Point: | 416.7 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
MDL: | MFCD07784397 |
LogP: | -0.03230 |
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 |
JP-2012102073-A | (Trifluorovinyl) benzenes and process for producing the same | 20100917 |
JP-5833392-B2 | (Trifluorovinyl) benzenes and process for producing the same | 20100917 |
AU-2010339456-A1 | Ligand-directed covalent modification of protein | 20091230 |
AU-2016244281-A1 | Ligand-directed covalent modification of protein | 20091230 |
EP-2519664-A1 | Ligand-directed covalent modification of protein | 20091230 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0906891 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0906891 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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