What is the molecular formula of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The molecular formula is C24H24O3.
What is the molecular weight of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The molecular weight is 360.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[4-(4-pentoxyphenyl)phenyl]benzoic acid.
What is the InChI of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The InChI is InChI=1S/C24H24O3/c1-2-3-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25)26/h5-16H,2-4,17H2,1H3,(H,25,26).
What is the InChIKey of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The InChIKey is APIUMVXKBCYBSC-UHFFFAOYSA-N.
What is the canonical SMILES of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The canonical SMILES is CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O.
What is the CAS number of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The CAS number is 158938-08-0.
What is the EC number of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The EC number is 691-410-4.
What is the XLogP3 value of [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy)?
The XLogP3 value is 7.4.
Is [1,1:4,1-Terphenyl]-4-carboxylic acid,4-(pentyloxy) a canonicalized compound?
Yes, it is a canonicalized compound.