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

Specs ID search result

AF-399/42110750 is available in 24 mg

Compound details
MDL #:		MFCD04148069
Formula:		C12 H15 O4
Weight:		223.25
Salt Data:		Na+
Chiral info:		Not available
Name:		4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
SMILES:		Cc1c(oc2CC(C)(C)CC(O)c12)C(=O)[O-]
InChI^TM:		InChI=1S/C12H16O4/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15/h7,13H,4-5H2,1-3H3,(H,14,15)/p-1
InChIKey^TM:		LSTANEOPKBKSDR-UHFFFAOYSA-M

Toxicity predictions
Rat Oral LD₅₀:		16700 mg/Kg
Chronic LOAEL:		82.4 mg/Kg
Developmental Toxicity Potential:		0.01

Chemical properties calculations
LogP:	2.84	H-acceptors: 3
LogS:	-2.75	H-donors: 1
tPSA:	73.5 Å²	Rotatable bonds: 1

Purchase 10 mg of AF-399/42110750 for only 20 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.