CAS
898791-97-4 Purity
96%
898791-97-4 Purity
96%
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6-Oxo-6-(4-pentyloxyphenyl)hexanoic acid
CAS
898792-00-2
Catalog Number
ACM898792002
Category
Other Products
Molecular Weight
292.37
Molecular Formula
C17H24O4
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Specification
Synonyms
6-OXO-6-(4-PENTYLOXYPHENYL)HEXANOIC ACID
IUPAC Name
6-oxo-6-(4-pentoxyphenyl)hexanoic acid
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C(=O)CCCCC(=O)O
InChI Key
QOYOSYJDXGDFLI-UHFFFAOYSA-N
Boiling Point
474.7ºC at 760 mmHg
Flash Point
169.3ºC
Density
1.076g/cm³
Exact Mass
292.16700
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 6-Oxo-6-(4-pentyloxyphenyl)hexanoic acid?
The molecular formula is C17H24O4.
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 6-oxo-6-(4-pentoxyphenyl)hexanoic acid.
What is the molecular weight of the compound?
The molecular weight is 292.4 g/mol.
What is the InChIKey of the compound?
The InChIKey is QOYOSYJDXGDFLI-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 the compound?
The XLogP3-AA value is 3.5.
How many rotatable bond counts does the compound have?
The compound has 11 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 292.16745924 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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