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MCULE-1113222985

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InChIKey:
SMILES:
InChI:
Formula:

Amount	Price 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 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	7 USD	N/A	14 working days	Get Quote
5 mg	7 USD	N/A	14 working days	Get Quote
10 mg	7 USD	N/A	14 working days	Get Quote

New customers are eligible for a 10% discount if indicated at the time of ordering.

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Name	File
SDF	MCULE-1113222985.sdf
SMILES	MCULE-1113222985.smiles
Standard InChI	MCULE-1113222985.inchi
InChIKey	MCULE-1113222985.txt

mcule product ID	Guaranteed purity (%)	Product matching	Availability
P-903046599	N/A	As is	1000 g
P-489119991	97	As is	in stock
P-889740712	95	As is	500 g
P-881633715	98	As is	in stock
P-868612616	98	As is	in stock
P-852504791	N/A	As is	in stock
P-896629416	95	As is	by synthesis
P-854693510	95	As is	in stock
P-584621128	95	As is	in stock
P-619672475	98	As is	in stock

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	1
Unknown stereo double bonds	0
Undefined stereo double bonds	0

MCULE-1113222985

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