CAS
898791-48-5 Purity
96%
898791-48-5 Purity
96%
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8-Oxo-8-(4-N-pentylphenyl)octanoic acid
CAS
898791-51-0
Catalog Number
ACM898791510
Category
Other Products
Molecular Weight
304.42
Molecular Formula
C19H28O3
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Specification
Synonyms
8-OXO-8-(4-N-PENTYLPHENYL)OCTANOIC ACID
IUPAC Name
8-oxo-8-(4-pentylphenyl)octanoic acid
Canonical SMILES
CCCCCC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O
InChI Key
LQQCCDGLVVIQDL-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 8-Oxo-8-(4-N-pentylphenyl)octanoic acid?
The molecular formula is C19H28O3.
When was 8-Oxo-8-(4-N-pentylphenyl)octanoic acid created in PubChem?
It was created on February 29, 2008.
What is the IUPAC name of 8-Oxo-8-(4-N-pentylphenyl)octanoic acid?
The IUPAC name is 8-oxo-8-(4-pentylphenyl)octanoic acid.
What is the InChIKey of 8-Oxo-8-(4-N-pentylphenyl)octanoic acid?
The InChIKey is LQQCCDGLVVIQDL-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 8-Oxo-8-(4-N-pentylphenyl)octanoic acid have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of 8-Oxo-8-(4-N-pentylphenyl)octanoic acid?
The XLogP3-AA value is 5.3.
What is the exact mass of 8-Oxo-8-(4-N-pentylphenyl)octanoic acid?
The exact mass is 304.20384475 g/mol.
How many rotatable bond counts does 8-Oxo-8-(4-N-pentylphenyl)octanoic acid have?
It has 12 rotatable bond counts.
What is the topological polar surface area of 8-Oxo-8-(4-N-pentylphenyl)octanoic acid?
The topological polar surface area is 54.4 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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