CAS
898790-82-4 Purity
96%
898790-82-4 Purity
96%
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6-(3-Iodophenyl)-6-oxohexanoic acid
CAS
898790-86-8
Catalog Number
ACM898790868
Category
Other Products
Molecular Weight
332.13
Molecular Formula
C12H13IO3
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Specification
Synonyms
6-(3-IODOPHENYL)-6-OXOHEXANOIC ACID
IUPAC Name
6-(3-iodophenyl)-6-oxohexanoic acid
Canonical SMILES
C1=CC(=CC(=C1)I)C(=O)CCCCC(=O)O
InChI Key
WYUJKKRJIGVNEB-UHFFFAOYSA-N
Boiling Point
466.2ºC at 760 mmHg
Flash Point
235.8ºC
Density
1.63g/cm³
Exact Mass
331.99100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 6-(3-Iodophenyl)-6-oxohexanoic acid?
The molecular formula of 6-(3-Iodophenyl)-6-oxohexanoic acid is C12H13IO3.
When was 6-(3-Iodophenyl)-6-oxohexanoic acid first created?
6-(3-Iodophenyl)-6-oxohexanoic acid was first created on 2008-02-29.
What is the IUPAC name of 6-(3-Iodophenyl)-6-oxohexanoic acid?
The IUPAC name of 6-(3-Iodophenyl)-6-oxohexanoic acid is 6-(3-iodophenyl)-6-oxohexanoic acid.
What is the InChIKey of 6-(3-Iodophenyl)-6-oxohexanoic acid?
The InChIKey of 6-(3-Iodophenyl)-6-oxohexanoic acid is WYUJKKRJIGVNEB-UHFFFAOYSA-N.
What is the molecular weight of 6-(3-Iodophenyl)-6-oxohexanoic acid?
The molecular weight of 6-(3-Iodophenyl)-6-oxohexanoic acid is 332.13 g/mol.
What is the Canonical SMILES of 6-(3-Iodophenyl)-6-oxohexanoic acid?
The Canonical SMILES of 6-(3-Iodophenyl)-6-oxohexanoic acid is C1=CC(=CC(=C1)I)C(=O)CCCCC(=O)O.
How many hydrogen bond donor counts are there in 6-(3-Iodophenyl)-6-oxohexanoic acid?
There is 1 hydrogen bond donor count in 6-(3-Iodophenyl)-6-oxohexanoic acid.
What is the hydrogen bond acceptor count in 6-(3-Iodophenyl)-6-oxohexanoic acid?
There are 3 hydrogen bond acceptor counts in 6-(3-Iodophenyl)-6-oxohexanoic acid.
How many rotatable bond counts are there in 6-(3-Iodophenyl)-6-oxohexanoic acid?
There are 6 rotatable bond counts in 6-(3-Iodophenyl)-6-oxohexanoic acid.
Is 6-(3-Iodophenyl)-6-oxohexanoic acid a canonicalized compound?
Yes, 6-(3-Iodophenyl)-6-oxohexanoic acid is a canonicalized compound.
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