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6-Methoxyindole

CAT: 0013-GTR19250804-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250804-02Size:200 mg
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Description
6-Methoxyindole
CAS Number
3189-13-7
Product Name Alternative
Compound PDK0179
Smiles
COC1=CC=C2C=CNC2=C1
Molecular Formula
C9H9NO
Molecular Weight
147.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Methoxy-1H-indole
CAS Number3189-13-7
PubChem CID76659
IUPAC Name6-methoxy-1H-indole
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP2.6
Topological Polar Surface Area25
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
COC1=CC2=C(C=C1)C=CN2
InChI
InChI=1S/C9H9NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChIKey
QJRWYBIKLXNYLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-1H-indole
CAS: 3189-13-7
CID: 76659
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area25 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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