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Methyl 3-hydroxyquinoline-7-carboxylate

CAT: 0127-OR1061446-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1061446-01Size:100 mg
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CAS Number
1261869-58-2
MDL Number
MFCD18417584
Purity
98%
Smiles
O=C(C1=CC=C2C=C(O)C=NC2=C1)OC

Chemical Information

Methyl 3-hydroxyquinoline-7-carboxylate
CAS Number1261869-58-2
PubChem CID129962297
IUPAC Namemethyl 3-hydroxyquinoline-7-carboxylate
Molecular FormulaC11H9NO3
Molecular Weight203.19
XLogP1.7
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
COC(=O)C1=CC2=NC=C(C=C2C=C1)O
InChI
InChI=1S/C11H9NO3/c1-15-11(14)8-3-2-7-4-9(13)6-12-10(7)5-8/h2-6,13H,1H3
InChIKey
MXXKMCXTCKOEAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-hydroxyquinoline-7-carboxylate
CAS: 1261869-58-2
CID: 129962297
Formula: C11H9NO3
MW: 203.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.19
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass203.058243149
Monoisotopic Mass203.058243149
Topological Polar Surface Area59.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
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
LAC86962-01Methyl 5-hydroxyquinoline-7-carboxylate
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