CAS
948290-89-9 Purity
96%
948290-89-9 Purity
96%
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7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948290-96-8
Catalog Number
ACM948290968
Category
Other Products
Molecular Weight
303.31
Molecular Formula
C16H17NO5
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Specification
Synonyms
7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester, 948290-96-8, AGN-PC-01A9QD, CTK8E5541, ZINC32099643, AB52435, diethyl 7-methoxyquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 7-methoxyquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)OC)C(=O)OCC
InChI Key
QNHKVZYRNDSNIX-UHFFFAOYSA-N
Boiling Point
406ºC at 760 mmHg
Flash Point
199.3ºC
Density
1.215g/cm³
Exact Mass
303.11100
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C16H17NO5.
When was 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester created and modified?
It was created on 2007-11-13 and last modified on 2023-12-30.
What is the IUPAC name of 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The IUPAC name is diethyl 7-methoxyquinoline-2,3-dicarboxylate.
What is the InChI of 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The InChI is InChI=1S/C16H17NO5/c1-4-21-15(18)12-8-10-6-7-11(20-3)9-13(10)17-14(12)16(19)22-5-2/h6-9H,4-5H2,1-3H3.
What is the InChIKey of 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The InChIKey is QNHKVZYRNDSNIX-UHFFFAOYSA-N.
What is the Canonical SMILES of 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The Canonical SMILES is CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)OC)C(=O)OCC.
What is the molecular weight of 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular weight is 303.31 g/mol.
How many hydrogen bond acceptors does 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester have?
It has 6 hydrogen bond acceptors.
What is the XLogP3-AA value for 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester?
The XLogP3-AA value is 2.9.
Is 7-Methoxyquinoline-2,3-dicarboxylic acid diethyl ester a canonical compound?
Yes, it is a canonical compound.
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