CAS
898790-98-2 Purity
96%
898790-98-2 Purity
96%
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7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid
CAS
898791-01-0
Catalog Number
ACM898791010
Category
Other Products
Molecular Weight
288.26905
Molecular Formula
C14H15F3O3
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Specification
Synonyms
7-OXO-7-(2-TRIFLUOROMETHYLPHENYL)HEPTANOIC ACID, 898791-01-0, AG-H-67058, CTK5G6759, AKOS016022784, KB-200124
IUPAC Name
7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)CCCCCC(=O)O)C(F)(F)F
InChI Key
VFXIIKTWIBQFQS-UHFFFAOYSA-N
Boiling Point
408.4ºC at 760 mmHg
Flash Point
200.8ºC
Density
1.244g/cm³
Exact Mass
288.09700
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?
The molecular formula is C14H15F3O3.
When was 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid first created?
It was first created on February 29, 2008.
What is the molecular weight of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?
The molecular weight is 288.26 g/mol.
How is the IUPAC Name of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid represented?
The IUPAC Name is 7-oxo-7-[2-(trifluoromethyl)phenyl]heptanoic acid.
What is the InChI of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?
The InChI is InChI=1S/C14H15F3O3/c15-14(16,17)11-7-5-4-6-10(11)12(18)8-2-1-3-9-13(19)20/h4-7H,1-3,8-9H2,(H,19,20).
How many hydrogen bond donor counts does 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid have?
It has 1 hydrogen bond donor count.
What is the xLogP3-AA value of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?
The xLogP3-AA value is 3.2.
How many rotatable bond counts does 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid have?
It has 7 rotatable bond counts.
What is the topological polar surface area of 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid?
The topological polar surface area is 54.4 Å2.
Is 7-Oxo-7-(2-trifluoromethylphenyl)heptanoic acid considered to be a canonicalized compound?
Yes, it is considered a canonicalized compound.
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