CAS
89958-30-5 Purity
96%
89958-30-5 Purity
96%
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1-Benzyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CAS
89960-36-1
Catalog Number
ACM89960361
Category
Other Products
Molecular Weight
229.23
Molecular Formula
C13H11NO3
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Specification
Synonyms
ZINC00169396, 89960-36-1
IUPAC Name
1-benzyl-2-oxopyridine-3-carboxylate
Canonical SMILES
C1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)O
InChI Key
JMUXBAQFXTYJBB-UHFFFAOYSA-M
Boiling Point
472.8ºC at 760 mmHg
Melting Point
133.5-134.5ºC
Flash Point
239.8ºC
Density
1.355g/cm³
Exact Mass
229.07400
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
26-36/37/39
What is the molecular formula of the compound with PubChem CID 2764021?
The molecular formula is C13H11NO3.
What are some synonyms for the compound with PubChem CID 2764021?
Some synonyms include 1-benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid and 1-benzyl-2-oxopyridine-3-carboxylic acid.
When was the compound with PubChem CID 2764021 first created?
It was first created on July 19, 2005.
What is the InChIKey of the compound with PubChem CID 2764021?
The InChIKey is JMUXBAQFXTYJBB-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound with PubChem CID 2764021 have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound with PubChem CID 2764021?
The topological polar surface area is 57.6 Ų.
Does the compound with PubChem CID 2764021 have any isotope atom count?
No, it has 0 isotope atom count.
How many covalently-bonded units does the compound with PubChem CID 2764021 have?
It has 1 covalently-bonded unit count.
Is the compound with PubChem CID 2764021 canonicalized?
Yes, the compound is canonicalized.
What is the exact mass of the compound with PubChem CID 2764021?
The exact mass is 229.07389321 g/mol.
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