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  1. InChIKey:
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Name File
SDF P-617705213.sdf
SMILES P-617705213.smiles
Standard InChI P-617705213.inchi
InChIKey P-617705213.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-617705213 Otava Chemical Building Blocks for Prompt Delivery 95 in stock January 23
Property Value
Components 1
Mass 228.315
logP 3.46728
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 2
PSA 61.98
RO5 violations 0
RO3 violations 2
Refractivity 67.952
Atoms 28
Rings 2
Heavy atoms 16
Hydrogen atoms 12
Heteroatoms 3
N/O atoms 2
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0