CAS
898790-86-8 Purity
96%
898790-86-8 Purity
96%
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7-(3-Iodophenyl)-7-oxoheptanoic acid
CAS
898790-89-1
Catalog Number
ACM898790891
Category
Other Products
Molecular Weight
346.16
Molecular Formula
C13H15IO3
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Specification
Synonyms
7-(3-IODOPHENYL)-7-OXOHEPTANOIC ACID
IUPAC Name
7-(3-iodophenyl)-7-oxoheptanoic acid
Canonical SMILES
C1=CC(=CC(=C1)I)C(=O)CCCCCC(=O)O
InChI Key
QNSRZYMQZSPGKJ-UHFFFAOYSA-N
Boiling Point
474ºC at 760 mmHg
Flash Point
240.5ºC
Density
1.572g/cm³
Exact Mass
346.00700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 7-(3-Iodophenyl)-7-oxoheptanoic acid?
The molecular formula is C13H15IO3.
When was the structure of 7-(3-Iodophenyl)-7-oxoheptanoic acid created?
The structure was created on 2008-02-29.
What is the IUPAC Name of 7-(3-Iodophenyl)-7-oxoheptanoic acid?
The IUPAC Name is 7-(3-iodophenyl)-7-oxoheptanoic acid.
What is the InChIKey of 7-(3-Iodophenyl)-7-oxoheptanoic acid?
The InChIKey is QNSRZYMQZSPGKJ-UHFFFAOYSA-N.
How many Hydrogen Bond Donor Count does 7-(3-Iodophenyl)-7-oxoheptanoic acid have?
It has 1 Hydrogen Bond Donor Count.
What is the Topological Polar Surface Area of 7-(3-Iodophenyl)-7-oxoheptanoic acid?
The Topological Polar Surface Area is 54.4 Å2.
Does 7-(3-Iodophenyl)-7-oxoheptanoic acid have any Defined Atom Stereocenter Count?
No, it has 0 Defined Atom Stereocenter Count.
How many Rotatable Bond Count does 7-(3-Iodophenyl)-7-oxoheptanoic acid have?
It has 7 Rotatable Bond Count.
What is the Complexity value of 7-(3-Iodophenyl)-7-oxoheptanoic acid?
The Complexity value is 265.
Is 7-(3-Iodophenyl)-7-oxoheptanoic acid a Covalently-Bonded Unit?
Yes, it is a Covalently-Bonded Unit.
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