Benzyloxyacetaldehyde diethyl acetal - CAS 42783-78-8
Catalog: |
BB025226 |
Product Name: |
Benzyloxyacetaldehyde diethyl acetal |
CAS: |
42783-78-8 |
Synonyms: |
2,2-diethoxyethoxymethylbenzene |
IUPAC Name: | 2,2-diethoxyethoxymethylbenzene |
Description: | Benzyloxyacetaldehyde diethyl acetal (CAS# 42783-78-8) is a useful research chemical. |
Molecular Weight: | 224.30 |
Molecular Formula: | C13H20O3 |
Canonical SMILES: | CCOC(COCC1=CC=CC=C1)OCC |
InChI: | InChI=1S/C13H20O3/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3 |
InChI Key: | VTYTZCJKJNWMGA-UHFFFAOYSA-N |
Boiling Point: | 107 °C (1 torr) |
Density: | 1 g/cm3 |
LogP: | 2.60230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019016184-A1 | FORMULATION OF AN ORGANIC FUNCTIONAL MATERIAL | 20170718 |
US-2015246934-A1 | Tricyclic gyrase inhibitors | 20120912 |
WO-2014043272-A1 | Tricyclic gyrase inhibitors for use as antibacterial agents | 20120912 |
US-10865216-B2 | Tricyclic Gyrase inhibitors | 20120912 |
EP-2686320-B1 | Tricyclic gyrase inhibitors | 20110315 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.14124450 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.14124450 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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