CAS
898790-74-4 Purity
96%
898790-74-4 Purity
96%
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8-(2-Iodophenyl)-8-oxooctanoic acid
CAS
898790-77-7
Catalog Number
ACM898790777
Category
Other Products
Molecular Weight
360.19
Molecular Formula
C14H17IO3
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Specification
Synonyms
8-(2-IODOPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(2-iodophenyl)-8-oxooctanoic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)I
InChI Key
LSHDCMSLUHNBHF-UHFFFAOYSA-N
Boiling Point
469.6ºC at 760 mmHg
Flash Point
237.8ºC
Density
1.521g/cm³
Exact Mass
360.02200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The molecular formula is C14H17IO3.
When was the structure of 8-(2-Iodophenyl)-8-oxooctanoic acid created and modified?
The structure was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The IUPAC name is 8-(2-iodophenyl)-8-oxooctanoic acid.
What is the InChIKey of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The InChIKey is LSHDCMSLUHNBHF-UHFFFAOYSA-N.
What is the Canonical SMILES of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The Canonical SMILES is C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)I.
What is the molecular weight of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The molecular weight is 360.19 g/mol.
What is the XLogP3-AA value of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The XLogP3-AA value is 3.5.
How many hydrogen bond donor counts are present in 8-(2-Iodophenyl)-8-oxooctanoic acid?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 8-(2-Iodophenyl)-8-oxooctanoic acid?
The topological polar surface area is 54.4 Ų.
Is the compound canonicalized for 8-(2-Iodophenyl)-8-oxooctanoic acid?
Yes, the compound is canonicalized.
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