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Quinolin-4(1H)-one

CAT: 0572-TRC-Q990023-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Q990023-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
529-37-3
Synonyms
1,4-Dihydro-4-quinolinone; 1H-4-Oxoquinoline; 1H-Quinolin-4-one; 4-Quinolone; NSC 263800; γ-Quinolone
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
O=C1C=CNc2ccccc12
Molecular Formula
C9H7NO
Molecular Weight
145.16
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxyquinoline

4-quinolone is a quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. It is a tautomer of a quinolin-4-ol.

CAS Number529-37-3
PubChem CID69141
IUPAC Name1H-quinolin-4-one
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP0.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity198
SMILES
C1=CC=C2C(=C1)C(=O)C=CN2
InChI
InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChIKey
PMZDQRJGMBOQBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyquinoline
CAS: 529-37-3
CID: 69141
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass145.052763847
Monoisotopic Mass145.052763847
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity198
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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Alternative Products

CatalogName
OR946853-01Quinolin-4 (1H) -one
sc-3162414-Cyclohexylaminomethyl-1H-quinolin-2-one
sc-2613844- (Bromomethyl) quinolin-2 (1H) -one
OR89070-014- (Chloromethyl) quinolin-2 (1H) -one
PAA80218-012-Phenyl-1H-quinolin-4-one
RG-A261519-014- (Hydroxymethyl) Quinolin-2 (1H) -One
sc-4924493- (4-Fluorobenzoyl) quinolin-4 (1H) -one
419753-012,3-Dihydro-1H-quinolin-4-one
OR1042065-017- (4-Chlorobutoxy) quinolin-2 (1H) -one
OR1011966-016,7-Dimethoxy-1H-Quinolin-4-One

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