CAS
898790-89-1 Purity
96%
898790-89-1 Purity
96%
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8-(3-Iodophenyl)-8-octanoic acid
CAS
898790-92-6
Catalog Number
ACM898790926
Category
Other Products
Molecular Weight
360.19
Molecular Formula
C14H17IO3
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Specification
Synonyms
8-(3-IODOPHENYL)-8-OCTANOIC ACID
IUPAC Name
8-(3-iodophenyl)-8-oxooctanoic acid
Canonical SMILES
C1=CC(=CC(=C1)I)C(=O)CCCCCCC(=O)O
InChI Key
PVCJEZOAKHNTTI-UHFFFAOYSA-N
Boiling Point
482.5ºC at 760 mmHg
Flash Point
245.6ºC
Density
1.521g/cm³
Exact Mass
360.02200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 8-(3-Iodophenyl)-8-octanoic acid?
The molecular formula is C14H17IO3.
When was 8-(3-Iodophenyl)-8-octanoic acid created in PubChem?
It was created on February 29, 2008.
What is the IUPAC name of 8-(3-Iodophenyl)-8-octanoic acid?
The IUPAC name is 8-(3-iodophenyl)-8-oxooctanoic acid.
How many hydrogen bond acceptors does 8-(3-Iodophenyl)-8-octanoic acid have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of 8-(3-Iodophenyl)-8-octanoic acid?
The XLogP3-AA value is 3.5.
What is the exact mass of 8-(3-Iodophenyl)-8-octanoic acid?
The exact mass is 360.02224 g/mol.
How many rotatable bonds does 8-(3-Iodophenyl)-8-octanoic acid have?
It has 8 rotatable bonds.
Is 8-(3-Iodophenyl)-8-octanoic acid a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of 8-(3-Iodophenyl)-8-octanoic acid?
The topological polar surface area is 54.4 Ų.
How many heavy atoms are present in the molecule of 8-(3-Iodophenyl)-8-octanoic acid?
There are 18 heavy atoms in the molecule.
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