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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 7 USD 99 20 working days Get Quote
5 mg 7 USD 99 20 working days Get Quote
10 mg 7 USD 99 20 working days Get Quote
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Name File
SDF P-596946775.sdf
SMILES P-596946775.smiles
Standard InChI P-596946775.inchi
InChIKey P-596946775.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-596946775 Angene Building Blocks in stock 99 3 kg April 27
Property Value
Components 1
Mass 116.072
logP -0.2882
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 2
PSA 74.6
RO5 violations 0
RO3 violations 2
Refractivity 24.4116
Atoms 12
Rings 0
Heavy atoms 8
Hydrogen atoms 4
Heteroatoms 4
N/O atoms 4
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