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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 595 USD 96 26 working days Get Quote
5 mg 595 USD 96 26 working days Get Quote
10 mg 595 USD 96 26 working days Get Quote
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Name File
SDF P-580061596.sdf
SMILES P-580061596.smiles
Standard InChI P-580061596.inchi
InChIKey P-580061596.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-580061596 eNovation Chemicals LLC Building Blocks 96 in stock January 22, 2019
Property Value
Components 1
Mass 169.171
logP 2.4797
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 1
PSA 26.02
RO5 violations 0
RO3 violations 0
Refractivity 41.5314
Atoms 21
Rings 2
Heavy atoms 12
Hydrogen atoms 9
Heteroatoms 3
N/O atoms 1
Inorganic atoms 0
Halogen atoms 2
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0