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Compound EN300-227636

CAT: 0013-GTR19270225-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270225-01Size:1 mg
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Description
Compound EN300-227636 is a high-purity biochemical reagent with CAS number 438530-70-2, suitable for biochemical experiments and drug synthesis research.
CAS Number
438530-70-2
Smiles
COC1=C (COC2=CC=CC3=CC=CN=C23) C=C (C=O) C=C1
Molecular Formula
C18H15NO3
Molecular Weight
293.3166
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methoxy-3-[(quinolin-8-yloxy)methyl]benzaldehyde
CAS Number438530-70-2
PubChem CID590877
IUPAC Name4-methoxy-3-(quinolin-8-yloxymethyl)benzaldehyde
Molecular FormulaC18H15NO3
Molecular Weight293.3
XLogP2.9
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity362
SMILES
COC1=C(C=C(C=C1)C=O)COC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C18H15NO3/c1-21-16-8-7-13(11-20)10-15(16)12-22-17-6-2-4-14-5-3-9-19-18(14)17/h2-11H,12H2,1H3
InChIKey
KAIREKLWZOZJFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-3-[(quinolin-8-yloxy)methyl]benzaldehyde
CAS: 438530-70-2
CID: 590877
Formula: C18H15NO3
MW: 293.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.3
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass293.10519334
Monoisotopic Mass293.10519334
Topological Polar Surface Area48.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity362
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

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