CAS
898791-13-4 Purity
96%
898791-13-4 Purity
96%
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7-(2,3-Dichlorophenyl)-7-oxoheptanoic acid
CAS
898791-16-7
Catalog Number
ACM898791167
Category
Other Products
Molecular Weight
289.16073
Molecular Formula
C13H14Cl2O3
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Specification
Synonyms
7-(2,3-DICHLOROPHENYL)-7-OXOHEPTANOIC ACID, 898791-16-7, CTK5G6774, AKOS016022824, AG-H-67073, KB-199686
IUPAC Name
7-(2,3-dichlorophenyl)-7-oxoheptanoic acid
Canonical SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=O)CCCCCC(=O)O
InChI Key
DRIYJOMOWVOTHS-UHFFFAOYSA-N
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(2,3-Dichlorophenyl)-7-oxoheptanoic acid?
The molecular formula is C13H14Cl2O3.
When was this compound created in the PubChem database?
This compound was created on February 29, 2008.
What is the molecular weight of 7-(2,3-Dichlorophenyl)-7-oxoheptanoic acid?
The molecular weight is 289.15 g/mol.
What is the IUPAC name of this compound?
The IUPAC name is 7-(2,3-dichlorophenyl)-7-oxoheptanoic acid.
What is the Canonical SMILES notation for 7-(2,3-Dichlorophenyl)-7-oxoheptanoic acid?
The Canonical SMILES notation is C1=CC(=C(C(=C1)Cl)Cl)C(=O)CCCCCC(=O)O.
What is the InChIKey for this compound?
The InChIKey is DRIYJOMOWVOTHS-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in this compound?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 7-(2,3-Dichlorophenyl)-7-oxoheptanoic acid?
The topological polar surface area is 54.4 Ų.
How many rotatable bond counts are there in this compound?
There are 7 rotatable bond counts.
Is the compound's structure canonicalized according to PubChem?
Yes, the compound is canonicalized in PubChem.
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