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  1. InChIKey:
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Name File
SDF P-524166218.sdf
SMILES P-524166218.smiles
Standard InChI P-524166218.inchi
InChIKey P-524166218.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-524166218 Key Organics Building Blocks 98 unavailable Monday
Property Value
Components 2
Mass 133.103
logP 0.0357
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 2
PSA 77.84
RO5 violations 0
RO3 violations 2
Refractivity 29.1387
Atoms 16
Rings 0
Heavy atoms 9
Hydrogen atoms 7
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0