CAS
91254-93-2 Purity
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91254-93-2 Purity
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Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]-
CAS
912569-54-1
Catalog Number
ACM912569541
Category
Other Products
Molecular Weight
220.2268
Molecular Formula
C11H12N2O3
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Specification
Synonyms
6-[(Tetrahydro-2H-pyran-4-yl)oxy]pyridin-3-yl isocyanate, 4-[(5-Isocyanatopyridin-2-yl)oxy]tetrahydro-2H-pyran
IUPAC Name
5-isocyanato-2-(oxan-4-yloxy)pyridine
InChI Key
CURMCGRWRMOXFY-UHFFFAOYSA-N
Boiling Point
342.8ºC at 760 mmHg
Melting Point
68.5-70.5ºC
Flash Point
161.1ºC
Density
1.27g/cm³
Exact Mass
220.08500
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 24229578?
The molecular formula is C11H12N2O3.
What are some synonyms of the compound with PubChem CID 24229578?
Some synonyms include Pyridine,5-isocyanato-2-[(tetrahydro-2H-pyran-4-yl)oxy]- and 2-(Tetrahydropyran-4-yloxy)pyridin-5-yl isocyanate.
When was the compound created and last modified according to PubChem?
The compound was created on 2008-02-29 and last modified on 2023-12-30.
What is the InChIKey of the compound with PubChem CID 24229578?
The InChIKey is CURMCGRWRMOXFY-UHFFFAOYSA-N.
What is the exact molecular mass of the compound?
The exact mass is 220.08479225 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 60.8 Ų.
How many rotatable bonds does the compound have?
The compound has 3 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.4.
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