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5-Hydroxyindole-d5

CAT: 1596-AR-I03609-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03609-02Size:25 Units
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CAS Number
916979-23-2
Molecular Formula
C8H2D5NO
Molecular Weight
138.18
API Name
Indole

Chemical Information

5-Hydroxyindole-d5
CAS Number916979-23-2
PubChem CID134811437
IUPAC Name2,3,4,6,7-pentadeuterio-1H-indol-5-ol
Molecular FormulaC8H7NO
Molecular Weight138.18
XLogP2
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
[2H]C1=C(C(=C(C2=C1NC(=C2[2H])[2H])[2H])O)[2H]
InChI
InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H/i1D,2D,3D,4D,5D
InChIKey
LMIQERWZRIFWNZ-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxyindole-d5
CAS: 916979-23-2
CID: 134811437
Formula: C8H7NO
MW: 138.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.18
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass138.084147577
Monoisotopic Mass138.084147577
Topological Polar Surface Area36 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes