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:
Amount Price  Help
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
Guaranteed purity (%) Delivery time  Help
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
1 mg 395 USD 98 24 working days Get Quote
5 mg 395 USD 98 24 working days Get Quote
10 mg 395 USD 98 24 working days Get Quote
New customers are eligible for 10% discount if indicated at the time of ordering.
  1. Get quote for multiple compounds
  2. Get custom quote

Name File
SDF P-524166218.sdf
SMILES P-524166218.smiles
Standard InChI P-524166218.inchi
InChIKey P-524166218.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-524166218 Key Organics Building Blocks 98 1000 mg Tuesday
Property Value
Components 2
Mass 133.103
logP 0.0357
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 2
PSA 77.84
RO5 violations 0
RO3 violations 2
Refractivity 29.1387
Atoms 16
Rings 0
Heavy atoms 9
Hydrogen atoms 7
Heteroatoms 5
N/O atoms 5
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