4-(Benzyloxy)salicylaldehyde - CAS 52085-14-0
Catalog: |
BB027702 |
Product Name: |
4-(Benzyloxy)salicylaldehyde |
CAS: |
52085-14-0 |
Synonyms: |
2-hydroxy-4-phenylmethoxybenzaldehyde; 2-hydroxy-4-phenylmethoxybenzaldehyde |
IUPAC Name: | 2-hydroxy-4-phenylmethoxybenzaldehyde |
Description: | 4-(Benzyloxy)salicylaldehyde (CAS# 52085-14-0) is a useful research chemical. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=O)O |
InChI: | InChI=1S/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2 |
InChI Key: | AMLKEDBYDOCGEG-UHFFFAOYSA-N |
Boiling Point: | 390.9 °C at 760 mmHg |
Density: | 1.238 g/cm3 |
Appearance: | Powder |
MDL: | MFCD01075698 |
LogP: | 2.78370 |
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 |
EP-3650440-A1 | Benzoic ester compound | 20180827 |
WO-2020045326-A1 | Benzoic ester compound | 20180827 |
JP-6773938-B2 | Benzoic acid ester compound | 20180827 |
JP-WO2020045326-A1 | Benzoic acid ester compound | 20180827 |
TW-202024028-A | Benzoate compound | 20180827 |
PMID | Publication Date | Title | Journal |
22590306 | 20120501 | N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide monohydrate | Acta crystallographica. Section E, Structure reports online |
22199904 | 20111201 | (E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-phenyl-hydrazinecarbothio-amide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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