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Structure

6-Ethoxyquinoline-2,3-dicarboxylic acid diethyl ester

CAS
948289-80-3
Catalog Number
ACM948289803
Category
Other Products
Molecular Weight
317.34
Molecular Formula
C17H19NO5

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Specification

Synonyms
6-Ethoxyquinoline-2,3-dicarboxylic acid diethyl ester, 948289-80-3, AGN-PC-01A9PA, ZINC32099576, AB52340, diethyl 6-ethoxyquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 6-ethoxyquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC1=CC2=CC(=C(N=C2C=C1)C(=O)OCC)C(=O)OCC
InChI Key
YMKZGXICWLXRTL-UHFFFAOYSA-N
Boiling Point
418.9ºC at 760 mmHg
Flash Point
207.2ºC
Density
1.192g/cm³
Exact Mass
317.12600
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 6-Ethoxyquinoline-2,3-dicarboxylic acid diethyl ester?

The molecular formula is C17H19NO5.

When was this compound created and modified according to the reference?

It was created on 2007-11-13 and modified on 2023-12-30.

What is the IUPAC Name of 6-Ethoxyquinoline-2,3-dicarboxylic acid diethyl ester?

The IUPAC Name is diethyl 6-ethoxyquinoline-2,3-dicarboxylate.

What is the Canonical SMILES of this compound?

The Canonical SMILES is CCOC1=CC2=CC(=C(N=C2C=C1)C(=O)OCC)C(=O)OCC.

What is the molecular weight of this compound?

The molecular weight is 317.34 g/mol.

How many hydrogen bond acceptors are in 6-Ethoxyquinoline-2,3-dicarboxylic acid diethyl ester?

There are 6 hydrogen bond acceptors.

What is the Exact Mass of this compound?

The Exact Mass is 317.12632271 g/mol.

How many rotatable bond counts are in 6-Ethoxyquinoline-2,3-dicarboxylic acid diethyl ester?

There are 8 rotatable bond counts.

What is the topological polar surface area of this compound?

The topological polar surface area is 74.7 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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