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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 171 USD 90 23 working days Get Quote
5 mg 171 USD 90 23 working days Get Quote
10 mg 171 USD 90 23 working days Get Quote
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Name File
SDF P-3224861.sdf
SMILES P-3224861.smiles
Standard InChI P-3224861.inchi
InChIKey P-3224861.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-3224861 VITAS M CHEMICAL LIMITED Organic Building Blocks 90 in stock November 2, 2012
Property Value
Components 1
Mass 180.204
logP 1.4549
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 4
PSA 64.35
RO5 violations 0
RO3 violations 3
Refractivity 48.4161
Atoms 25
Rings 1
Heavy atoms 13
Hydrogen atoms 12
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0