CAS
946779-35-7 Purity
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946779-35-7 Purity
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1,3,5-Tri(3-pyridyl)-1,5-pentanoate
CAS
94678-45-2
Catalog Number
ACM94678452
Category
Other Products
Molecular Weight
331.37
Molecular Formula
C20H17N3O2
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Specification
Synonyms
1,3,5-Tri-3-pyridinyl-
IUPAC Name
1,3,5-tripyridin-3-ylpentane-1,5-dione
InChI Key
QJZCWKXSMMCGNW-UHFFFAOYSA-N
Boiling Point
569.5ºC at 760 mmHg
Flash Point
288.1ºC
Density
1.222g/cm³
Appearance
White Solid
Exact Mass
331.13200
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The molecular formula is C20H17N3O2.
What is the molecular weight of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The molecular weight is 331.4 g/mol.
When was 1,3,5-Tri(3-pyridyl)-1,5-pentanoate created and last modified?
It was created on February 7, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The IUPAC name is 1,3,5-tripyridin-3-ylpentane-1,5-dione.
What is the InChI of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The InChI is InChI=1S/C20H17N3O2/c24-19(16-5-2-8-22-13-16)10-18(15-4-1-7-21-12-15)11-20(25)17-6-3-9-23-14-17/h1-9,12-14,18H,10-11H2.
What is the InChIKey of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The InChIKey is QJZCWKXSMMCGNW-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The Canonical SMILES is C1=CC(=CN=C1)C(CC(=O)C2=CN=CC=C2)CC(=O)C3=CN=CC=C3.
What is the XLogP3-AA value of 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
The XLogP3-AA value is 1.4.
How many hydrogen bond acceptors are there in 1,3,5-Tri(3-pyridyl)-1,5-pentanoate?
There are 5 hydrogen bond acceptors.
Is 1,3,5-Tri(3-pyridyl)-1,5-pentanoate a canonicalized compound?
Yes, it is a canonicalized compound.
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