CAS
948291-36-9 Purity
96%
948291-36-9 Purity
96%
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8-Ethylquinoline-2,3-dicarboxylic acid
CAS
948291-43-8
Catalog Number
ACM948291438
Category
Other Products
Molecular Weight
245.23
Molecular Formula
C13H11NO4
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Specification
Synonyms
8-Ethylquinoline-2,3-dicarboxylic acid, 948291-43-8, AGN-PC-01A9QW, CTK8E5580, AB52480
IUPAC Name
8-ethylquinoline-2,3-dicarboxylic acid
Canonical SMILES
CCC1=CC=CC2=CC(=C(N=C21)C(=O)O)C(=O)O
InChI Key
XRZNEVMJJACVIC-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 8-Ethylquinoline-2,3-dicarboxylic acid?
The molecular formula of 8-Ethylquinoline-2,3-dicarboxylic acid is C13H11NO4.
When was 8-Ethylquinoline-2,3-dicarboxylic acid created and modified?
8-Ethylquinoline-2,3-dicarboxylic acid was created on 2007-11-13 and modified on 2023-12-30.
What is the molecular weight of 8-Ethylquinoline-2,3-dicarboxylic acid?
The molecular weight of 8-Ethylquinoline-2,3-dicarboxylic acid is 245.23 g/mol.
What is the Canonical SMILES for 8-Ethylquinoline-2,3-dicarboxylic acid?
The Canonical SMILES for 8-Ethylquinoline-2,3-dicarboxylic acid is CCC1=CC=CC2=CC(=C(N=C21)C(=O)O)C(=O)O.
What is the InChIKey of 8-Ethylquinoline-2,3-dicarboxylic acid?
The InChIKey of 8-Ethylquinoline-2,3-dicarboxylic acid is XRZNEVMJJACVIC-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 8-Ethylquinoline-2,3-dicarboxylic acid?
There are 2 hydrogen bond donor counts in 8-Ethylquinoline-2,3-dicarboxylic acid.
How many hydrogen bond acceptor counts are there in 8-Ethylquinoline-2,3-dicarboxylic acid?
There are 5 hydrogen bond acceptor counts in 8-Ethylquinoline-2,3-dicarboxylic acid.
What is the topological polar surface area of 8-Ethylquinoline-2,3-dicarboxylic acid?
The topological polar surface area of 8-Ethylquinoline-2,3-dicarboxylic acid is 87.5 Ų.
How many rotatable bond counts are there in 8-Ethylquinoline-2,3-dicarboxylic acid?
There are 3 rotatable bond counts in 8-Ethylquinoline-2,3-dicarboxylic acid.
Is 8-Ethylquinoline-2,3-dicarboxylic acid a canonicalized compound?
Yes, 8-Ethylquinoline-2,3-dicarboxylic acid is a canonicalized compound.
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