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4-Hydroxy-5,6,7-trimethoxyquinoline

CAT: 0127-OR1075967Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1075967Size:25 g
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CAS Number
1204996-83-7
Purity
=95%
Smiles
COc1cc2NC=CC(=O)c2c(OC)c1OC

Chemical Information

4-Hydroxy-5,6,7-trimethoxyquinoline
CAS Number1204996-83-7
PubChem CID43532000
IUPAC Name5,6,7-trimethoxy-1H-quinolin-4-one
Molecular FormulaC12H13NO4
Molecular Weight235.24
XLogP1.5
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity318
SMILES
COC1=C(C(=C2C(=O)C=CNC2=C1)OC)OC
InChI
InChI=1S/C12H13NO4/c1-15-9-6-7-10(8(14)4-5-13-7)12(17-3)11(9)16-2/h4-6H,1-3H3,(H,13,14)
InChIKey
CSYQQDONOLZYDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-5,6,7-trimethoxyquinoline
CAS: 1204996-83-7
CID: 43532000
Formula: C12H13NO4
MW: 235.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.24
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass235.08445790
Monoisotopic Mass235.08445790
Topological Polar Surface Area56.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity318
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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