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6,7-Dimethoxyquinazoline-4-one

CAT: 0572-TRC-D470800-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D470800-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13794-72-4
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
COc1cc2N=CNC(=O)c2cc1OC
Molecular Formula
C10 H10 N2 O3
Molecular Weight
206.2
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
Additionnal Information
IUPAC name: 6,7-dimethoxy-3H-quinazolin-4-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

6,7-Dimethoxy-3H-quinazolin-4-one
CAS Number13794-72-4
PubChem CID135495016
IUPAC Name6,7-dimethoxy-3H-quinazolin-4-one
Molecular FormulaC10H10N2O3
Molecular Weight206.20
XLogP0.6
Topological Polar Surface Area59.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity280
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)OC
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
InChIKey
DMSRMHGCZUXCMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dimethoxy-3H-quinazolin-4-one
CAS: 13794-72-4
CID: 135495016
Formula: C10H10N2O3
MW: 206.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.20
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass206.06914219
Monoisotopic Mass206.06914219
Topological Polar Surface Area59.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity280
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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