CAS
910036-92-9 Purity
96%
910036-92-9 Purity
96%
![Pyridine,2-[(tetrahydro-2H-pyran-4-yl)oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-](https://resource.alfa-chemistry.com/structure/910036-98-5.gif)
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6-(tetrahydropyran-4-yloxy)nicotinaldehyde
CAS
910036-95-2
Catalog Number
ACM910036952
Category
Other Products
Molecular Weight
207.22
Molecular Formula
n1cc(ccc1OC1CCOCC1)C=O
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Specification
Synonyms
6-(tetrahydropyran-4-yloxy)nicotinaldehyde
IUPAC Name
6-(oxan-4-yloxy)pyridine-3-carbaldehyde
Canonical SMILES
C1COCCC1OC2=NC=C(C=C2)C=O
InChI Key
ZQQOWSDTLFHTAC-UHFFFAOYSA-N
Boiling Point
360ºC at 760 mmHg
Melting Point
66.5-68ºC
Flash Point
171.5ºC
Density
1.205g/cm³
Exact Mass
207.09000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with CID 24229577?
The molecular formula is C11H13NO3.
What is the molecular weight of the compound with CID 24229577?
The molecular weight is 207.23 g/mol.
What is the IUPAC name of the compound with CID 24229577?
The IUPAC name is 6-(oxan-4-yloxy)pyridine-3-carbaldehyde.
What is the InChI identifier of the compound with CID 24229577?
The InChI identifier is InChI=1S/C11H13NO3/c13-8-9-1-2-11(12-7-9)15-10-3-5-14-6-4-10/h1-2,7-8,10H,3-6H2.
What is the InChIKey of the compound with CID 24229577?
The InChIKey is ZQQOWSDTLFHTAC-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound with CID 24229577?
The Canonical SMILES is C1COCCC1OC2=NC=C(C=C2)C=O.
How many hydrogen bond donor counts does the compound with CID 24229577 have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound with CID 24229577?
The topological polar surface area is 48.4Å2.
How many rotatable bond counts does the compound with CID 24229577 have?
The compound has 3 rotatable bond counts.
Is the compound with CID 24229577 canonicalized?
Yes, the compound is canonicalized.
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