CAS
94825-74-8 Purity
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94825-74-8 Purity
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6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948289-08-5
Catalog Number
ACM948289085
Category
Other Products
Molecular Weight
301.337060 [g/mol]
Molecular Formula
C17H19NO4
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Specification
Synonyms
6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester, 948289-08-5, AGN-PC-01A9OQ, ZINC32099543, AB52289, diethyl 6,8-dimethylquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 6,8-dimethylquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C(=CC(=CC2=C1)C)C)C(=O)OCC
InChI Key
YKSIVSIBUZGWQC-UHFFFAOYSA-N
Boiling Point
403.5ºC at 760 mmHg
Flash Point
197.8ºC
Density
1.167g/cm³
Exact Mass
301.13100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C17H19NO4.
When was the compound first created and last modified?
The compound was first created on November 13, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The IUPAC name is diethyl 6,8-dimethylquinoline-2,3-dicarboxylate.
What is the InChIKey of 6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The InChIKey is YKSIVSIBUZGWQC-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The XLogP3-AA value is 3.7.
How many rotatable bond counts are there in the compound?
There are 6 rotatable bond counts.
What is the exact mass of 6,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The exact mass is 301.13140809 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 65.5 Ų.
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