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6-propoxypicolinic acid

CAT: 0127-OR1081587-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081587-01Size:250 mg
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CAS Number
1249545-27-4
Purity
95%
Smiles
C1c (nc (cc1) OCCC) C (=O) O

Chemical Information

6-Propoxypicolinic acid
CAS Number1249545-27-4
PubChem CID62253014
IUPAC Name6-propoxypyridine-2-carboxylic acid
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP1.9
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity172
SMILES
CCCOC1=CC=CC(=N1)C(=O)O
InChI
InChI=1S/C9H11NO3/c1-2-6-13-8-5-3-4-7(10-8)9(11)12/h3-5H,2,6H2,1H3,(H,11,12)
InChIKey
LZTIYHLGSLQILG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Propoxypicolinic acid
CAS: 1249545-27-4
CID: 62253014
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area59.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity172
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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