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5-Hydroxy-2-methylindole

CAT: 0013-GTR19259075-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259075-02Size:500 mg
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Description
5-Hydroxy-2-methylindole, with CAS No. 13314-85-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 5-Hydroxy-2-methylindole provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
13314-85-7
Solubility
DMSO:29.44 mg/mL (200.03 mM)
Smiles
Cc1cc2cc (O) ccc2[nH]1
Molecular Formula
C9H9NO
Molecular Weight
147.177
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-methyl-1H-indol-5-ol
CAS Number13314-85-7
PubChem CID83336
IUPAC Name2-methyl-1H-indol-5-ol
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.7
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC1=CC2=C(N1)C=CC(=C2)O
InChI
InChI=1S/C9H9NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,10-11H,1H3
InChIKey
MDWJZBVEVLTXDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-1H-indol-5-ol
CAS: 13314-85-7
CID: 83336
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area36 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
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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