What is the molecular formula of 1-Pyrenebutanol?
The molecular formula of 1-Pyrenebutanol is C20H18O.
What is the molecular weight of 1-Pyrenebutanol?
The molecular weight of 1-Pyrenebutanol is 274.4 g/mol.
When was 1-Pyrenebutanol created and modified?
1-Pyrenebutanol was created on July 19, 2005, and last modified on November 25, 2023.
What is the IUPAC name of 1-Pyrenebutanol?
The IUPAC name of 1-Pyrenebutanol is 4-pyren-1-ylbutan-1-ol.
What is the InChI of 1-Pyrenebutanol?
The InChI of 1-Pyrenebutanol is InChI=1S/C20H18O/c21-13-2-1-4-14-7-8-17-10-9-15-5-3-6-16-11-12-18(14)20(17)19(15)16/h3,5-12,21H,1-2,4,13H2.
What is the InChIKey of 1-Pyrenebutanol?
The InChIKey of 1-Pyrenebutanol is MRENSFROWALQNU-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Pyrenebutanol?
The canonical SMILES of 1-Pyrenebutanol is C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCO.
What is the CAS number of 1-Pyrenebutanol?
The CAS number of 1-Pyrenebutanol is 67000-89-9.
What is the XLogP3-AA value of 1-Pyrenebutanol?
The XLogP3-AA value of 1-Pyrenebutanol is 5.3.
Is 1-Pyrenebutanol a canonicalized compound?
Yes, 1-Pyrenebutanol is a canonicalized compound.