CAS
989-54-8 Purity
96%
989-54-8 Purity
96%
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3,5-Diethoxypyridine
CAS
98959-85-4
Catalog Number
ACM98959854
Category
Other Products
Molecular Weight
167.20502
Molecular Formula
C9H13NO2
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Specification
Synonyms
3,5-Diethoxypyridine
IUPAC Name
3,5-diethoxypyridine
Canonical SMILES
CCOC1=CC(=CN=C1)OCC
InChI Key
KLTYMCNDQCBKKY-UHFFFAOYSA-N
Boiling Point
259.8ºC at 760mmHg
Flash Point
95.1ºC
Density
1.021g/cm³
Exact Mass
167.09500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3,5-Diethoxypyridine?
The molecular formula of 3,5-Diethoxypyridine is C9H13NO2.
When was 3,5-Diethoxypyridine first created in PubChem?
3,5-Diethoxypyridine was first created in PubChem on 2007-12-04.
What is the molecular weight of 3,5-Diethoxypyridine?
The molecular weight of 3,5-Diethoxypyridine is 167.20 g/mol.
How many hydrogen bond acceptors does 3,5-Diethoxypyridine have?
3,5-Diethoxypyridine has 3 hydrogen bond acceptors.
What is the Canonical SMILES representation of 3,5-Diethoxypyridine?
The Canonical SMILES representation of 3,5-Diethoxypyridine is CCOC1=CC(=CN=C1)OCC.
Is 3,5-Diethoxypyridine considered canonicalized in PubChem?
Yes, 3,5-Diethoxypyridine is considered canonicalized in PubChem.
What is the XLogP3-AA value of 3,5-Diethoxypyridine?
The XLogP3-AA value of 3,5-Diethoxypyridine is 1.5.
How many rotatable bonds does 3,5-Diethoxypyridine have?
3,5-Diethoxypyridine has 4 rotatable bonds.
What is the topological polar surface area of 3,5-Diethoxypyridine?
The topological polar surface area of 3,5-Diethoxypyridine is 31.4 Ų.
What is the InChIKey of 3,5-Diethoxypyridine?
The InChIKey of 3,5-Diethoxypyridine is KLTYMCNDQCBKKY-UHFFFAOYSA-N.
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