CAS
898791-52-1 Purity
96%
898791-52-1 Purity
96%
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7-(4-Hexylphenyl)-7-oxoheptanoic acid
CAS
898791-55-4
Catalog Number
ACM898791554
Category
Other Products
Molecular Weight
304.42
Molecular Formula
C19H28O3
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Specification
Synonyms
7-(4-HEXYLPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(4-hexylphenyl)-7-oxoheptanoic acid
Canonical SMILES
CCCCCCC1=CC=C(C=C1)C(=O)CCCCCC(=O)O
InChI Key
NHUDEAWYSONOST-UHFFFAOYSA-N
Boiling Point
478ºC at 760 mmHg
Flash Point
257ºC
Density
1.025g/cm³
Exact Mass
304.20400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?
The molecular formula is C19H28O3.
When was the compound first created?
The compound was first created on February 29, 2008.
What is the molecular weight of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?
The molecular weight is 304.4 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is 7-(4-hexylphenyl)-7-oxoheptanoic acid.
What is the Canonical SMILES of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?
The Canonical SMILES is CCCCCCC1=CC=C(C=C1)C(=O)CCCCCC(=O)O.
What is the InChIKey of the compound?
The InChIKey is NHUDEAWYSONOST-UHFFFAOYSA-N.
How many Hydrogen Bond Donor Counts does the compound have?
The compound has 1 Hydrogen Bond Donor Count.
What is the XLogP3-AA value of 7-(4-Hexylphenyl)-7-oxoheptanoic acid?
The XLogP3-AA value is 5.3.
What is the Exact Mass of the compound?
The Exact Mass is 304.20384475 g/mol.
Is 7-(4-Hexylphenyl)-7-oxoheptanoic acid considered a canonical compound?
Yes, the compound is considered canonicalized.
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