CAS
898791-38-3 Purity
96%
898791-38-3 Purity
96%
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8-(4-Isopropylphenyl)-8-oxooctanoic acid
CAS
898791-41-8
Catalog Number
ACM898791418
Category
Other Products
Molecular Weight
276.37
Molecular Formula
C17H24O3
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Specification
Synonyms
8-(4-ISOPROPYLPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-oxo-8-(4-propan-2-ylphenyl)octanoic acid
Canonical SMILES
CC(C)C1=CC=C(C=C1)C(=O)CCCCCCC(=O)O
InChI Key
LKZJNXVLCUICBO-UHFFFAOYSA-N
Boiling Point
445.4ºC at 760 mmHg
Flash Point
237.3ºC
Density
1.044g/cm³
Exact Mass
276.17300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C17H24O3.
What are the synonyms of the compound?
The synonyms of the compound include 8-(4-ISOPROPYLPHENYL)-8-OXOOCTANOIC ACID, 898791-41-8, and 8-oxo-8-[4-(propan-2-yl)phenyl]octanoic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 276.4 g/mol.
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 of the compound is 8-oxo-8-(4-propan-2-ylphenyl)octanoic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is LKZJNXVLCUICBO-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 of the compound is 4.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem (release 2021.10.14).
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