CAS
898791-22-5 Purity
96%
898791-22-5 Purity
96%
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7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid
CAS
898791-25-8
Catalog Number
ACM898791258
Category
Other Products
Molecular Weight
289.15
Molecular Formula
C13H14Cl2O3
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Specification
Synonyms
7-(2,4-DICHLOROPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(2,4-dichlorophenyl)-7-oxoheptanoic acid
Canonical SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)CCCCCC(=O)O
InChI Key
HHTBNQWFQBSLQX-UHFFFAOYSA-N
Boiling Point
442.2ºC at 760 mmHg
Flash Point
221.2ºC
Density
1.302g/cm³
Exact Mass
288.03200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The molecular formula is C13H14Cl2O3.
What is the molecular weight of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The molecular weight is 289.15 g/mol.
What is the IUPAC name of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The IUPAC name is 7-(2,4-dichlorophenyl)-7-oxoheptanoic acid.
What is the Canonical SMILES of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The Canonical SMILES is C1=CC(=C(C=C1Cl)Cl)C(=O)CCCCCC(=O)O.
What is the CAS number of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The CAS number is 898791-25-8.
What is the XLogP3-AA value of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The XLogP3-AA value is 3.5.
How many hydrogen bond donor counts does 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid have?
It has 1 hydrogen bond donor count.
What is the exact mass of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The exact mass is 288.0319997 g/mol.
What is the topological polar surface area of 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid?
The topological polar surface area is 54.4 2.
Is 7-(2,4-Dichlorophenyl)-7-oxoheptanoic acid in its canonicalized form?
Yes, the compound is canonicalized.
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