CAS 52085-14-0 4-Benzyloxy-2-hydroxybenzaldehyde (HCID 561235)

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Basic information

CAS: 52085-14-0
Standard SMILES: O=Cc1ccc(OCc2ccccc2)cc1O
InChIKey: AMLKEDBYDOCGEG-UHFFFAOYSA-N
Molecular formula: C14H12O3
Average molar mass: 228.24 g/mol
Monoisotopic mass: 228.07864424

Overview

See also: 2-Hydroxy-4-(phenylmethoxy)benzaldehyde (annotation moved to).

Names & identifiers

Preferred name: 4-Benzyloxy-2-hydroxybenzaldehyde
IUPAC: 2-hydroxy-4-phenylmethoxybenzaldehyde
English name: 4-Benzyloxy-2-hydroxybenzaldehyde
Molecular formula: C14H12O3
Molecular weight: 228.24

Names & synonyms

4-Benzyloxy-2-hydroxybenzaldehydeRefChem:518515676-541-74-(Benzyloxy)-2-hydroxybenzaldehyde52085-14-02-hydroxy-4-phenylmethoxybenzaldehydeBenzaldehyde, 2-hydroxy-4-(phenylmethoxy)-MFCD010756984-(Benzyloxy)salicylaldehyde4-benzyloxy-2-hydroxy-benzaldehydeSCHEMBL435353DTXSID70340061

Show more names

4-Benzyloxysalicylaldehyde4-benzenemethoxy-2-hydroxybenzenemethylaldehyde

2-hydroxy-4-(phenylmethoxy)benzaldehyde2-hydroxy-4-(benzyloxy)benzaldehyde4-Benzyloxy-2-hydoxy-benzalde4-Benzyloxy-2-hydoxy-benzaldehyde4-Bezyloxy-2-hydroxy-benzaldehyde4-benzyloxy-2-hydroxy benzaldehydeCCA08514SBB097282

Database identifiers

CAS: 52085-14-0
PubChem CID: 561235
DTXSID: DTXSID70340061
Nikkaji: J1.838.597J

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 78 · 78-80°C
Boiling point: 165 · 165-175 °C(Press: 1 Torr)
Density: 1.238 · 1.238±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 7.8 · 7.80±0.10(Predicted)
form: solid
Appearance: Light brown to brown Solid
Sensitive: Air Sensitive
BRN: 982995 · 982995
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
InChIKey: AMLKEDBYDOCGEG-UHFFFAOYSA-N
SMILES: Oc1cc(OCc2ccccc2)ccc1C=O
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335