CAS
898791-19-0 Purity
96%
898791-19-0 Purity
96%
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6-(2,4-Dichlorophenyl)-6-oxohexanoic acid
CAS
898791-22-5
Catalog Number
ACM898791225
Category
Other Products
Molecular Weight
275.13
Molecular Formula
C12H12Cl2O3
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Specification
Synonyms
6-(2,4-DICHLOROPHENYL)-6-OXOHEXANOIC ACID
IUPAC Name
6-(2,4-dichlorophenyl)-6-oxohexanoic acid
Canonical SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)CCCCC(=O)O
InChI Key
JUQCJIWPKSJLQQ-UHFFFAOYSA-N
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24727031?
The molecular formula is C12H12Cl2O3.
What is the molecular weight of the compound?
The molecular weight is 275.12 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 6-(2,4-dichlorophenyl)-6-oxohexanoic acid.
What is the InChIKey of the compound?
The InChIKey is JUQCJIWPKSJLQQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 54.4 Å2.
Is the compound canonically SMILES?
Yes, the compound is canonically SMILES.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the formal charge of the compound?
The formal charge is 0.
How many heavy atoms are present in the compound?
There are 17 heavy atoms present in the compound.
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