CAS
9039-27-4 Purity
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9039-27-4 Purity
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4-(Pyridin-3-yl)benzaldehyde
CAS
90395-45-2
Catalog Number
ACM90395452
Category
Other Products
Molecular Weight
197.232540 [g/mol]
Molecular Formula
C13H11NO
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Specification
Synonyms
90395-45-2, alpha-(2-oxo-2-(4-(3-pyridinyl)phenyl)ethyl), alpha-[2-oxo-2-[4-(3-pyridinyl)phenyl]ethyl], AGN-PC-00L7S4, SCHEMBL6949381, 5-(4-acetylphenyl)pyridin-2-yl, ZINC21987123, 1-(4-(Pyridin-3-yl)phenyl)ethanone, AKOS010253387, 1-[4-(3-pyridyl)phenyl]ethan-1-one, Ethanone, 1-[4-(3-pyridinyl)phenyl]-, AC-17587, AJ-79493, AK143093, [2-oxo-2-[4-(3-pyridinyl)phenyl]ethyl]
IUPAC Name
1-(4-pyridin-3-ylphenyl)ethanone
Canonical SMILES
CC(=O)C1=CC=C(C=C1)C2=CN=CC=C2
InChI Key
YDAFIGBEEBFUKV-UHFFFAOYSA-N
Boiling Point
346.7ºC at 760 mmHg
Flash Point
171.4ºC
Density
1.098g/cm³
Exact Mass
197.08400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-(Pyridin-3-yl)benzaldehyde?
The molecular formula is C12H9NO.
What is the molecular weight of 4-(Pyridin-3-yl)benzaldehyde?
The molecular weight is 183.21 g/mol.
What is the IUPAC name of 4-(Pyridin-3-yl)benzaldehyde?
The IUPAC name is 4-pyridin-3-ylbenzaldehyde.
What is the Canonical SMILES of 4-(Pyridin-3-yl)benzaldehyde?
The Canonical SMILES is C1=CC(=CN=C1)C2=CC=C(C=C2)C=O.
How many hydrogen bond donor counts does 4-(Pyridin-3-yl)benzaldehyde have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 4-(Pyridin-3-yl)benzaldehyde have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-(Pyridin-3-yl)benzaldehyde?
The topological polar surface area is 30 Ų.
How many heavy atoms does 4-(Pyridin-3-yl)benzaldehyde have?
It has 14 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of 4-(Pyridin-3-yl)benzaldehyde?
The InChIKey is NXZUVHZZIZHEOP-UHFFFAOYSA-N.
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