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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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Purity (%) Delivery time  Help
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1 mg 30 USD 98 8 working days Get Quote
5 mg 30 USD 98 8 working days Get Quote
10 mg 30 USD 98 8 working days Get Quote
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Name File
SDF P-505354687.sdf
SMILES P-505354687.smiles
Standard InChI P-505354687.inchi
InChIKey P-505354687.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-505354687 AK Scientific Building Blocks 98 in stock July 13, 2018
Property Value
Components 2
Mass 247.717
logP 2.3221
H-bond acceptors 4
H-bond donors 4
Rotatable bonds 4
PSA 72.72
RO5 violations 0
RO3 violations 4
Refractivity 65.6105
Atoms 34
Rings 1
Heavy atoms 16
Hydrogen atoms 18
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0