CAS
898791-01-0 Purity
96%
898791-01-0 Purity
96%
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8-Oxo-8-(2-trifluoromethylphenyl)octanoic acid
CAS
898791-04-3
Catalog Number
ACM898791043
Category
Other Products
Molecular Weight
302.29
Molecular Formula
C15H17F3O3
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Specification
Synonyms
8-OXO-8-(2-TRIFLUOROMETHYLPHENYL)OCTANOIC ACID
IUPAC Name
8-oxo-8-[2-(trifluoromethyl)phenyl]octanoic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)C(F)(F)F
InChI Key
PHMJOXYUWMHCHH-UHFFFAOYSA-N
Boiling Point
420.1ºC at 760 mmHg
Flash Point
207.9ºC
Density
1.218g/cm³
Exact Mass
302.11300
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 8-Oxo-8-(2-trifluoromethylphenyl)octanoic acid?
The molecular formula is C15H17F3O3.
When was the compound created and last modified?
The compound was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 8-oxo-8-[2-(trifluoromethyl)phenyl]octanoic acid.
What is the InChIKey of the compound?
The InChIKey is PHMJOXYUWMHCHH-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)C(F)(F)F.
What is the molecular weight of the compound?
The molecular weight is 302.29 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 54.4 Ų.
Is the compound considered canonicalized?
Yes, the compound is canonicalized.
How many covalently-bonded unit counts does the compound have?
The compound has 1 covalently-bonded unit count.
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