CAS
948289-74-5 Purity
96%
948289-74-5 Purity
96%
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6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948289-92-7
Catalog Number
ACM948289927
Category
Other Products
Molecular Weight
301.34
Molecular Formula
C17H19NO4
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Specification
Synonyms
6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester, 948289-92-7, AGN-PC-01A9PE, ZINC32099583, AB52349, diethyl 6-ethylquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 6-ethylquinoline-2,3-dicarboxylate
SMILES
CCC1=CC2=CC(=C(N=C2C=C1)C(=O)OCC)C(=O)OCC
InChI Key
XVKQFGRPDNJKHN-UHFFFAOYSA-N
Boiling Point
399.8ºC at 760 mmHg
Flash Point
195.6ºC
Density
1.166g/cm³
Exact Mass
301.13100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C17H19NO4.
When was the structure of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester created and modified?
The structure was created on November 13, 2007, and modified on December 30, 2023.
What is the IUPAC Name of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester?
The IUPAC Name is diethyl 6-ethylquinoline-2,3-dicarboxylate.
What is the InChI of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester?
The InChI is InChI=1S/C17H19NO4/c1-4-11-7-8-14-12(9-11)10-13(16(19)21-5-2)15(18-14)17(20)22-6-3/h7-10H,4-6H2,1-3H3.
What is the InChIKey of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester?
The InChIKey is XVKQFGRPDNJKHN-UHFFFAOYSA-N.
What is the Canonical SMILES of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester?
The Canonical SMILES is CCC1=CC2=CC(=C(N=C2C=C1)C(=O)OCC)C(=O)OCC.
What is the molecular weight of 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular weight is 301.34 g/mol.
How many hydrogen bond acceptor counts does 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester have?
It has 7 rotatable bond counts.
Is 6-Ethylquinoline-2,3-dicarboxylic acid diethyl ester considered canonicalized?
Yes, it is considered canonicalized.
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