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Structure

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

CAS
948290-04-8
Catalog Number
ACM948290048
Category
Other Products
Molecular Weight
287.31
Molecular Formula
C16H17NO4

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Specification

Synonyms
DIETHYL 6-METHYLQUINOLINE-2,3-DICARBOXYLATE, 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester, 948290-04-8, AGN-PC-01A9PI, ZINC32099589, AB52358
IUPAC Name
diethyl 6-methylquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=CC(=CC2=C1)C)C(=O)OCC
InChI Key
FMXXGQSZIJSYQR-UHFFFAOYSA-N
Boiling Point
387.4ºC at 760 mmHg
Flash Point
188.1ºC
Density
1.187g/cm³
Exact Mass
287.11600
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester?

The molecular formula is C16H17NO4.

When was the structure of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester first created?

The structure was first created on 2007-11-13.

What is the molecular weight of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester?

The molecular weight is 287.31 g/mol.

What is the IUPAC name of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester?

The IUPAC name is diethyl 6-methylquinoline-2,3-dicarboxylate.

What is the Canonical SMILES of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester?

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

What is the InChIKey of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester?

The InChIKey is FMXXGQSZIJSYQR-UHFFFAOYSA-N.

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

There are 5 hydrogen bond acceptors.

What is the topological polar surface area of 6-Methylquinoline-2,3-dicarboxylic acid diethyl ester?

The topological polar surface area is 65.5 Ų.

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

There are 6 rotatable bond counts.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

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