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Chemical structure of Neocnidilide

GC71992

Neocnidilide

Also known as (3S,3aR)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one

Neocnidilide is an alkylphthalide, which has the activity of inhibiting the growth of mycotoxin-producing fungi

ChemicalCAS4567-33-3MW194.27FormulaC12H18O2
CAS number
4567-33-3
Molecular weight
194.27
Formula
C12H18O2
InChIKey
UPJFTVFLSIQQAV-KOLCDFICSA-N
Catalogue number
GC71992
Brand
GLPBIO
Computed properties PubChem CID 3083857 · XLogP 3.3 · TPSA 26.3 Ų · H-bond donors 0
XLogP
3.3
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

SMILES CCCC[C@H]1[C@@H]2CCCC=C2C(=O)O1

Computed descriptors from PubChem (CID 3083857), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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