CAS
948289-56-3 Purity
96%
948289-56-3 Purity
96%
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6-Ethoxyquinoline-2,3-dicarboxylic acid
CAS
948289-74-5
Catalog Number
ACM948289745
Category
Other Products
Molecular Weight
261.230140 [g/mol]
Molecular Formula
C13H11NO5
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Specification
Synonyms
6-Ethoxyquinoline-2,3-dicarboxylic acid, 948289-74-5, AGN-PC-01A9P9, AB52338
IUPAC Name
6-ethoxyquinoline-2,3-dicarboxylic acid
SMILES
CCOC1=CC2=CC(=C(N=C2C=C1)C(=O)O)C(=O)O
InChI Key
AWLUPZWELMOPGF-UHFFFAOYSA-N
Boiling Point
461.3ºC at 760 mmHg
Flash Point
232.8ºC
Density
1.432g/cm³
Exact Mass
261.06400
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of 6-Ethoxyquinoline-2,3-dicarboxylic acid?
The molecular formula is C13H11NO5.
When was this compound first created?
The compound was first created on November 13, 2007.
What is the molecular weight of 6-Ethoxyquinoline-2,3-dicarboxylic acid?
The molecular weight is 261.23 g/mol.
What is the IUPAC name of 6-Ethoxyquinoline-2,3-dicarboxylic acid?
The IUPAC name is 6-ethoxyquinoline-2,3-dicarboxylic acid.
What is the Canonical SMILES representation of this compound?
The Canonical SMILES representation is CCOC1=CC2=CC(=C(N=C2C=C1)C(=O)O)C(=O)O.
How many hydrogen bond donor counts does this compound have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of this compound?
The topological polar surface area is 96.7 Ų.
Does 6-Ethoxyquinoline-2,3-dicarboxylic acid have any defined atom stereocenter count?
No, it has 0 defined atom stereocenter count.
How many rotatable bond counts does this compound have?
It has 4 rotatable bond counts.
Is 6-Ethoxyquinoline-2,3-dicarboxylic acid considered canonicalized?
Yes, the compound is considered canonicalized.
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