CAS
898790-77-7 Purity
96%
898790-77-7 Purity
96%
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4-(3-Iodophenyl)-4-oxobutyric acid
CAS
898790-80-2
Catalog Number
ACM898790802
Category
Other Products
Molecular Weight
304.08
Molecular Formula
C10H9IO3
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Specification
Synonyms
4-(3-IODOPHENYL)-4-OXOBUTYRIC ACID
IUPAC Name
4-(3-iodophenyl)-4-oxobutanoic acid
Canonical SMILES
C1=CC(=CC(=C1)I)C(=O)CCC(=O)O
InChI Key
HQTQRXTZHIHSPP-UHFFFAOYSA-N
Boiling Point
447.4ºC at 760 mmHg
Flash Point
224.4ºC
Density
1.781g/cm³
Exact Mass
303.96000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 4-(3-Iodophenyl)-4-oxobutyric acid?
The molecular formula is C10H9IO3.
When was 4-(3-Iodophenyl)-4-oxobutyric acid created and modified in PubChem?
It was created on February 29, 2008 and last modified on December 30, 2023.
What is the IUPAC name of 4-(3-Iodophenyl)-4-oxobutyric acid?
The IUPAC name is 4-(3-iodophenyl)-4-oxobutanoic acid.
What is the InChI key for 4-(3-Iodophenyl)-4-oxobutyric acid?
The InChI key is HQTQRXTZHIHSPP-UHFFFAOYSA-N.
What is the canonical SMILES notation for 4-(3-Iodophenyl)-4-oxobutyric acid?
The canonical SMILES is C1=CC(=CC(=C1)I)C(=O)CCC(=O)O.
What is the molecular weight of 4-(3-Iodophenyl)-4-oxobutyric acid?
The molecular weight is 304.08 g/mol.
What is the XLogP3 value for 4-(3-Iodophenyl)-4-oxobutyric acid?
The XLogP3 value is 2.
How many hydrogen bond acceptors does 4-(3-Iodophenyl)-4-oxobutyric acid have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of 4-(3-Iodophenyl)-4-oxobutyric acid?
The topological polar surface area is 54.4 Ų.
Is 4-(3-Iodophenyl)-4-oxobutyric acid canonicalized in PubChem?
Yes, it is canonicalized in PubChem.
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