CAS
898791-16-7 Purity
96%
898791-16-7 Purity
96%
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8-(2,3-Dichlorophenyl)-8-oxooctanoic acid
CAS
898791-19-0
Catalog Number
ACM898791190
Category
Other Products
Molecular Weight
303.18
Molecular Formula
C14H16Cl2O3
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Specification
Synonyms
8-(2,3-DICHLOROPHENYL)-8-OXOOCTANOIC ACID
IUPAC Name
8-(2,3-dichlorophenyl)-8-oxooctanoic acid
Canonical SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=O)CCCCCCC(=O)O
InChI Key
VVMSJTCDRKXUJK-UHFFFAOYSA-N
Boiling Point
453ºC at 760 mmHg
Flash Point
227.7ºC
Density
1.271g/cm³
Exact Mass
302.04800
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound 8-(2,3-Dichlorophenyl)-8-oxooctanoic acid?
The molecular formula is C14H16Cl2O3.
When was the compound created according to the reference?
The compound was created on February 29, 2008.
What is the molecular weight of the compound?
The molecular weight is 303.2 g/mol.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=C(C(=C1)Cl)Cl)C(=O)CCCCCCC(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3 value of the compound?
The XLogP3-AA value is 4.1.
What is the topological polar surface area of the compound?
The topological polar surface area is 54.4 Ų.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is VVMSJTCDRKXUJK-UHFFFAOYSA-N.
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