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Structure

7-Ethylquinoline-2,3-dicarboxylic acid

CAS
948290-58-2
Catalog Number
ACM948290582
Category
Other Products
Molecular Weight
245.23
Molecular Formula
C13H11NO4

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Specification

Synonyms
7-Ethylquinoline-2,3-dicarboxylic acid, 948290-58-2, AGN-PC-01A9Q5, AB52400
IUPAC Name
7-ethylquinoline-2,3-dicarboxylic acid
Canonical SMILES
CCC1=CC2=NC(=C(C=C2C=C1)C(=O)O)C(=O)O
InChI Key
GPRLFEBBHDQRCB-UHFFFAOYSA-N
Boiling Point
438.5ºC at 760 mmHg
Flash Point
219ºC
Density
1.404g/cm³
Exact Mass
245.06900
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 7-Ethylquinoline-2,3-dicarboxylic acid?

The molecular formula is C13H11NO4.

What are some synonyms of 7-Ethylquinoline-2,3-dicarboxylic acid?

Some synonyms include 948290-58-2, DTXSID40589167, AB52400, and FT-0736848.

When was 7-Ethylquinoline-2,3-dicarboxylic acid first created in PubChem?

It was first created on November 13, 2007.

What is the molecular weight of 7-Ethylquinoline-2,3-dicarboxylic acid?

The molecular weight is 245.23 g/mol.

What is the IUPAC name of 7-Ethylquinoline-2,3-dicarboxylic acid?

The IUPAC name is 7-ethylquinoline-2,3-dicarboxylic acid.

What is the InChI code for 7-Ethylquinoline-2,3-dicarboxylic acid?

The InChI is InChI=1S/C13H11NO4/c1-2-7-3-4-8-6-9(12(15)16)11(13(17)18)14-10(8)5-7/h3-6H,2H2,1H3,(H,15,16)(H,17,18).

How many hydrogen bond donor counts does 7-Ethylquinoline-2,3-dicarboxylic acid have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 7-Ethylquinoline-2,3-dicarboxylic acid?

The topological polar surface area is 87.5 Ų.

Does 7-Ethylquinoline-2,3-dicarboxylic acid have any defined bond stereocenters?

No, it does not have any defined bond stereocenters.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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