Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AK-087/40724414 is available in 409 mg

Compound details
MDL #:		MFCD00068807
Formula:		C11 H14 O3
Weight:		194.23
Chiral info:		Not available
Name:		1-(2,4-dihydroxyphenyl)-3-methyl-1-butanone
SMILES:		CC(C)CC(=O)c1ccc(O)cc1(O)
InChI^TM:		InChI=1S/C11H14O3/c1-7(2)5-10(13)9-4-3-8(12)6-11(9)14/h3-4,6-7,12,14H,5H2,1-2H3
InChIKey^TM:		AFLATBREDGLLKS-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		732 mg/Kg
Chronic LOAEL:		1790 mg/Kg
AMES Mutagenicity:		0.08

Chemical properties calculations
LogP:	2.89	H-acceptors: 1
LogS:	-2.51	H-donors: 2
tPSA:	57.53 Å²	Rotatable bonds: 3

Purchase 10 mg of AK-087/40724414 for only 26 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.