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8-Hydroxyquinoline-5-carbaldehyde

CAT: 0572-TRC-A430530-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A430530-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2598-30-3
Synonyms
5-Formyl-8-hydroxyquinoline; 5-Formyl-8-quinolinol; 8-Hydroxyquinoline-5-carbaldehyde; 8-Hydroxyquinoline-5-carboxaldehyde; NSC 122131;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1ccc(C=O)c2cccnc12
Molecular Formula
C10H7NO2
Molecular Weight
173.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

8-Hydroxyquinoline-5-carbaldehyde
CAS Number2598-30-3
PubChem CID275363
IUPAC Name8-hydroxyquinoline-5-carbaldehyde
Molecular FormulaC10H7NO2
Molecular Weight173.17
XLogP1.7
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)C=O
InChI
InChI=1S/C10H7NO2/c12-6-7-3-4-9(13)10-8(7)2-1-5-11-10/h1-6,13H
InChIKey
LIADJWREMDHKHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyquinoline-5-carbaldehyde
CAS: 2598-30-3
CID: 275363
Formula: C10H7NO2
MW: 173.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.17
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass173.047678466
Monoisotopic Mass173.047678466
Topological Polar Surface Area50.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
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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