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Chemical structure of 3-Indoleacetic acid-2,2-d2

GC75865

3-Indoleacetic acid-2,2-d2

Also known as 2,2-dideuterio-2-(1H-indol-3-yl)acetic acid

3-Indoleacetic acid-2,2-d2 is the deuterium labeled 3-Indoleacetic acid

ChemicalCAS24420-86-8MW177.2FormulaC10H7D2NO2
CAS number
24420-86-8
Molecular weight
177.2
Formula
C10H7D2NO2
Solubility
DMSO： 25 mg/mL (141·08 mM; ultrasonic and warming and heat to 60°C)
InChIKey
SEOVTRFCIGRIMH-BFWBPSQCSA-N
Catalogue number
GC75865
Brand
GLPBIO
Computed properties PubChem CID 16213582 · XLogP 1.4 · TPSA 53.1 Ų · H-bond donors 2
XLogP
1.4
TPSA
53.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

SMILES [2H]C([2H])(C1=CNC2=CC=CC=C21)C(=O)O

Computed descriptors from PubChem (CID 16213582), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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