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Chemical structure of Methyl indole-3-carboxylate

GC61685

Methyl indole-3-carboxylate

Also known as methyl 1H-indole-3-carboxylate

Methyl indole-3-carboxylate is a natural product isolated from Sorangium cellulosum strain Soce895

ChemicalCAS942-24-5MW175.18FormulaC10H9NO2
CAS number
942-24-5
Molecular weight
175.18
Formula
C10H9NO2
Solubility
DMSO ： 100 mg/mL (570·84 mM; Need ultrasonic)
InChIKey
QXAUTQFAWKKNLM-UHFFFAOYSA-N
Catalogue number
GC61685
Brand
GLPBIO
Computed properties PubChem CID 589098 · XLogP 2.6 · TPSA 42.1 Ų · H-bond donors 1
XLogP
2.6
TPSA
42.1 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

SMILES COC(=O)C1=CNC2=CC=CC=C21

Computed descriptors from PubChem (CID 589098), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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