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3-Benzyloxy-4-hydroxybenzaldehyde

CAT: 0572-TRC-B286420-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B286420-10GSize:10 g
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CAS Number
50773-56-3
Synonyms
4-Hydroxy-3-(phenylmethoxy)-benzaldehyde; 3-(Phenylmethoxy)-4-hydroxybenzaldehyde; 4-Hydroxy-3-(phenylmethoxy)benzaldehyde
Hazard Statement
No Data Available
Smiles
Oc1ccc(C=O)cc1OCc2ccccc2
Molecular Formula
C14H12O3
Molecular Weight
228.24
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Benzyloxy-4-hydroxybenzaldehyde

See also: 3-(Phenylmethoxy)-4-hydroxybenzaldehyde (annotation moved to).

CAS Number50773-56-3
PubChem CID11020635
IUPAC Name4-hydroxy-3-phenylmethoxybenzaldehyde
Molecular FormulaC14H12O3
Molecular Weight228.24
XLogP2.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity236
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=C2)C=O)O
InChI
InChI=1S/C14H12O3/c15-9-12-6-7-13(16)14(8-12)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKey
CWMRCRFALIQFHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Benzyloxy-4-hydroxybenzaldehyde
CAS: 50773-56-3
CID: 11020635
Formula: C14H12O3
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass228.078644241
Monoisotopic Mass228.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes