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Chemical structure of Caulilexin C

GC64117

Caulilexin C

Also known as 2-(1-methoxyindol-3-yl)acetonitrile

Caulilexin C is a phytoalexin from crucifers with antifungal activity

ChemicalCAS30536-48-2MW186.21FormulaC11H10N2O
CAS number
30536-48-2
Molecular weight
186.21
Formula
C11H10N2O
Solubility
DMSO ： 100 mg/mL (537·03 mM; Need ultrasonic)
InChIKey
LIJIPBYXIXTNLE-UHFFFAOYSA-N
Catalogue number
GC64117
Brand
GLPBIO
Computed properties PubChem CID 11954881 · XLogP 2.1 · TPSA 38 Ų · H-bond donors 0
XLogP
2.1
TPSA
38 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

SMILES CON1C=C(C2=CC=CC=C21)CC#N

Computed descriptors from PubChem (CID 11954881), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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