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4-hydroxy Tryptophol

CAT: 0013-GTR19252931-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252931-01Size:50 mg
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Description
4-hydroxy Tryptophol is a compound classified as a type of tryptamine. 4-hydroxy Tryptophol is a metabolite of psilocybin, psilocin and 4-acetoxy DMT.
CAS Number
1379213-90-7
Smiles
OC1=CC=CC=2NC=C (C12) CCO
Molecular Formula
C10H11NO2
Molecular Weight
177.20
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2-hydroxyethyl)-1H-indol-4-ol
CAS Number1379213-90-7
PubChem CID101711975
IUPAC Name3-(2-hydroxyethyl)-1H-indol-4-ol
Molecular FormulaC10H11NO2
Molecular Weight177.20
XLogP1.4
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1=CC2=C(C(=C1)O)C(=CN2)CCO
InChI
InChI=1S/C10H11NO2/c12-5-4-7-6-11-8-2-1-3-9(13)10(7)8/h1-3,6,11-13H,4-5H2
InChIKey
GYNDNGOZYGPLID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-hydroxyethyl)-1H-indol-4-ol
CAS: 1379213-90-7
CID: 101711975
Formula: C10H11NO2
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass177.078978594
Monoisotopic Mass177.078978594
Topological Polar Surface Area56.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
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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