CAS
948293-83-2 Purity
96%
948293-83-2 Purity
96%
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5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948293-92-3
Catalog Number
ACM948293923
Category
Other Products
Molecular Weight
301.34
Molecular Formula
C17H19NO4
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Specification
Synonyms
5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester, 948293-92-3, AGN-PC-01A9NJ, ZINC32099484, AB52193, diethyl 5,7-dimethylquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 5,7-dimethylquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=C(C=C(C2=C1)C)C)C(=O)OCC
InChI Key
BHBOOGKHOSMXKV-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 5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C17H19NO4.
When was the compound first created, according to PubChem?
The compound was first created on November 13, 2007.
What is the molecular weight of 5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular weight is 301.34 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name is diethyl 5,7-dimethylquinoline-2,3-dicarboxylate.
What is the Canonical SMILES representation of 5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The Canonical SMILES representation is CCOC(=O)C1=CC2=C(C=C(C=C2N=C1C(=O)OCC)C)C.
How many hydrogen bond acceptors are there in the compound?
There are 5 hydrogen bond acceptors.
What is the XLogP3-AA value of 5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The XLogP3-AA value is 3.7.
What is the Exact Mass of the compound?
The Exact Mass is 301.13140809 g/mol.
Is 5,7-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester a canonicalized compound?
Yes, the compound is canonicalized.
How many rotatable bond counts are there in the compound?
There are 6 rotatable bond counts.
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