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Pyridoxine Cyclic Ether Impurity

CAT: 0024-sc-394036Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-394036Size:25 mg
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CAS Number
5196-20-3

Chemical Information

1,3-Dihydro-6-methylfuro[3,4-c]pyridin-7-ol
CAS Number5196-20-3
PubChem CID78869
IUPAC Name6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP0.1
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
CC1=NC=C2COCC2=C1O
InChI
InChI=1S/C8H9NO2/c1-5-8(10)7-4-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3
InChIKey
GFEZPGADIMGWOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dihydro-6-methylfuro[3,4-c]pyridin-7-ol
CAS: 5196-20-3
CID: 78869
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area42.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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