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  1. InChIKey:
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Name File
SDF P-860789060.sdf
SMILES P-860789060.smiles
Standard InChI P-860789060.inchi
InChIKey P-860789060.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-860789060 Manchester Organics Compounds on demand 98 by synthesis
Property Value
Components 2
Mass 113.611
logP 1.3772
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 1
PSA 64.82
RO5 violations 0
RO3 violations 1
Refractivity 29.3294
Atoms 13
Rings 0
Heavy atoms 5
Hydrogen atoms 8
Heteroatoms 3
N/O atoms 1
Inorganic atoms 0
Halogen atoms 1
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