CAS
898791-28-1 Purity
96%
898791-28-1 Purity
96%
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7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid
CAS
898791-31-6
Catalog Number
ACM898791316
Category
Other Products
Molecular Weight
289.15
Molecular Formula
C13H14Cl2O3
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Specification
Synonyms
7-(2,5-DICHLOROPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(2,5-dichlorophenyl)-7-oxoheptanoic acid
Canonical SMILES
C1=CC(=C(C=C1Cl)C(=O)CCCCCC(=O)O)Cl
InChI Key
XBLNBSIMEZCQAP-UHFFFAOYSA-N
Boiling Point
438.6ºC at 760 mmHg
Flash Point
219.1ºC
Density
1.302g/cm³
Exact Mass
288.03200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?
The molecular formula is C13H14Cl2O3.
What are the synonyms for 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?
Synonyms include 7-(2,5-DICHLOROPHENYL)-7-OXOHEPTANOIC ACID, 898791-31-6, MFCD02260938, DTXSID40645419, AKOS016022842, and more.
When was this compound created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the molecular weight of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?
The molecular weight is 289.15 g/mol.
What is the IUPAC Name of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?
The IUPAC Name is 7-(2,5-dichlorophenyl)-7-oxoheptanoic acid.
What is the InChIKey of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?
The InChIKey is XBLNBSIMEZCQAP-UHFFFAOYSA-N.
How many hydrogen bond donor count does this compound have?
It has 1 hydrogen bond donor count.
What is the exact mass of 7-(2,5-Dichlorophenyl)-7-oxoheptanoic acid?
The exact mass is 288.0319997 g/mol.
How many rotatable bond count does this compound have?
It has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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