CAS
948293-92-3 Purity
96%
948293-92-3 Purity
96%
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5,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948294-01-7
Catalog Number
ACM948294017
Category
Other Products
Molecular Weight
301.34
Molecular Formula
C17H19NO4
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Specification
Synonyms
5,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester, 948294-01-7, AGN-PC-01A9NS, CTK8E5138, ZINC32099494, AB52213, diethyl 5,8-dimethylquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 5,8-dimethylquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2N=C1C(=O)OCC)C)C
InChI Key
QLQJKXBWVDQNIG-UHFFFAOYSA-N
Boiling Point
402.8ºC at 760 mmHg
Flash Point
197.4ºC
Density
1.167g/cm³
Exact Mass
301.13100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 5,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C17H19NO4.
When was this compound created and last modified?
It was created on November 13, 2007, and last modified on December 30, 2023.
What is the IUPAC name of this compound?
The IUPAC name is diethyl 5,8-dimethylquinoline-2,3-dicarboxylate.
What is the InChIKey for this compound?
The InChIKey is QLQJKXBWVDQNIG-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does this compound have?
It has 5 hydrogen bond acceptor counts.
What is the exact mass of this compound?
The exact mass is 301.13140809 g/mol.
How many rotatable bond counts does this compound have?
It has 6 rotatable bond counts.
What is the topological polar surface area of this compound?
The topological polar surface area is 65.5 Å2.
How many heavy atoms does this compound contain?
It contains 22 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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