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Compound FL0216

CAT: 0013-GTR19269754-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269754-01Size:1 mg
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Description
Compound FL0216, with CAS No. 162012-72-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0216 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
162012-72-8
Purity
99.67% (May vary between batches)
Smiles
COC1=C (O) C=C2NC=NC (=O) C2=C1
Molecular Formula
C9H8N2O3
Molecular Weight
192.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methoxy-7-hydroxyquinazolin-4-one
CAS Number162012-72-8
PubChem CID135609952
IUPAC Name7-hydroxy-6-methoxy-3H-quinazolin-4-one
Molecular FormulaC9H8N2O3
Molecular Weight192.17
XLogP0.3
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity267
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)O
InChI
InChI=1S/C9H8N2O3/c1-14-8-2-5-6(3-7(8)12)10-4-11-9(5)13/h2-4,12H,1H3,(H,10,11,13)
InChIKey
ZHLRYPLSYOYNQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-7-hydroxyquinazolin-4-one
CAS: 162012-72-8
CID: 135609952
Formula: C9H8N2O3
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass192.05349212
Monoisotopic Mass192.05349212
Topological Polar Surface Area70.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity267
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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