CAS
898790-95-9 Purity
96%
898790-95-9 Purity
96%
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8-(4-Iodophenyl)-8-octanoic acid
CAS
898790-98-2
Catalog Number
ACM898790982
Category
Other Products
Molecular Weight
360.19
Molecular Formula
C14H17IO3
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Specification
Synonyms
8-(4-IODOPHENYL)-8-OCTANOIC ACID
IUPAC Name
8-(4-iodophenyl)-8-oxooctanoic acid
Canonical SMILES
C1=CC(=CC=C1C(=O)CCCCCCC(=O)O)I
InChI Key
GAYVFLJPVCGUSY-UHFFFAOYSA-N
Boiling Point
479ºC at 760 mmHg
Flash Point
243.5ºC
Density
1.521g/cm³
Exact Mass
360.02200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 8-(4-Iodophenyl)-8-octanoic acid?
The molecular formula is C14H17IO3.
When was the PubChem CID 24727021 created?
It was created on 2008-02-29.
What is the InChIKey of 8-(4-Iodophenyl)-8-octanoic acid?
The InChIKey is GAYVFLJPVCGUSY-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 8-(4-Iodophenyl)-8-octanoic acid have?
It has 1 hydrogen bond donor count.
What is the exact mass of 8-(4-Iodophenyl)-8-octanoic acid?
The exact mass is 360.02224 g/mol.
How many rotatable bond counts does 8-(4-Iodophenyl)-8-octanoic acid have?
It has 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of 8-(4-Iodophenyl)-8-octanoic acid?
The topological polar surface area is 54.4 Ų.
How many defined bond stereocenter counts does 8-(4-Iodophenyl)-8-octanoic acid have?
It has 0 defined bond stereocenter counts.
What is the complexity value of 8-(4-Iodophenyl)-8-octanoic acid?
The complexity value is 270.
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