Loading ...
Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »


Product Show structure
In order to add this molecule to a collection you have to create an account.   Sign up for free
  1. InChIKey:
  2. SMILES:
  3. Formula:
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-492278131.sdf
SMILES P-492278131.smiles
Standard InChI P-492278131.inchi
InChIKey P-492278131.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-492278131 Otava Chemical Building Blocks for Prompt Delivery 95 in stock July 7
Property Value
Components 1
Mass 117.147
logP 1.75268
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 1
PSA 23.79
RO5 violations 0
RO3 violations 0
Refractivity 35.964
Atoms 16
Rings 1
Heavy atoms 9
Hydrogen atoms 7
Heteroatoms 1
N/O atoms 1
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