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α-Carboline N-Oxide

CAT: 0024-sc-213200Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-213200Size:25 mg
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CAS Number
26148-55-0

Chemical Information

9H-Pyrido[2,3-b]indole 1-Oxide
CAS Number26148-55-0
PubChem CID12406903
IUPAC Name1-hydroxypyrido[2,3-b]indole
Molecular FormulaC11H8N2O
Molecular Weight184.19
XLogP2.4
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
C1=CC=C2C(=C1)C3=CC=CN(C3=N2)O
InChI
InChI=1S/C11H8N2O/c14-13-7-3-5-9-8-4-1-2-6-10(8)12-11(9)13/h1-7,14H
InChIKey
WYABHFSECJYIJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9H-Pyrido[2,3-b]indole 1-Oxide
CAS: 26148-55-0
CID: 12406903
Formula: C11H8N2O
MW: 184.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.19
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass184.063662883
Monoisotopic Mass184.063662883
Topological Polar Surface Area38.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
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