CAS
898791-30-5 Purity
96%
898791-30-5 Purity
96%
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8-(2,5-Dichlorophenyl)-8-oxooctanoic acid
CAS
898791-33-8
Catalog Number
ACM898791338
Category
Other Products
Molecular Weight
303.18782
Molecular Formula
C14H16Cl2O3
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Specification
Synonyms
8-(2,5-DICHLOROPHENYL)-8-OXOOCTANOIC ACID, 898791-33-8, CTK5G6791, AKOS016022843, AG-H-67090, KB-200160
IUPAC Name
8-(2,5-dichlorophenyl)-8-oxooctanoic acid
Canonical SMILES
C1=CC(=C(C=C1Cl)C(=O)CCCCCCC(=O)O)Cl
InChI Key
DEGYUOUBWNZATP-UHFFFAOYSA-N
Boiling Point
449ºC at 760 mmHg
Flash Point
225.4ºC
Density
1.271g/cm³
Exact Mass
302.04800
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 8-(2,5-Dichlorophenyl)-8-oxooctanoic acid?
The molecular formula is C14H16Cl2O3.
When was the compound created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC Name is 8-(2,5-dichlorophenyl)-8-oxooctanoic acid.
What is the molecular weight of 8-(2,5-Dichlorophenyl)-8-oxooctanoic acid?
The molecular weight is 303.2 g/mol.
What is the Canonical SMILES notation for the compound?
The Canonical SMILES is C1=CC(=C(C=C1Cl)C(=O)CCCCCCC(=O)O)Cl.
How many hydrogen bond donor counts are there in 8-(2,5-Dichlorophenyl)-8-oxooctanoic acid?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 54.4 Å^2.
Is the compound's canonicalized form?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.1.
How many rotatable bond counts are there in 8-(2,5-Dichlorophenyl)-8-oxooctanoic acid?
There are 8 rotatable bond counts.
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