CAS
948289-99-4 Purity
96%
948289-99-4 Purity
96%
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7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester
CAS
948290-10-6
Catalog Number
ACM948290106
Category
Other Products
Molecular Weight
301.337060 [g/mol]
Molecular Formula
C17H19NO4
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Specification
Synonyms
7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester, 948290-10-6, AGN-PC-01A9PQ, ZINC32099597, AB52368, diethyl 7,8-dimethylquinoline-2,3-dicarboxylate
IUPAC Name
diethyl 7,8-dimethylquinoline-2,3-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C(=C(C=CC2=C1)C)C)C(=O)OCC
InChI Key
YHQALXIBYBFOCI-UHFFFAOYSA-N
Boiling Point
407.3ºC at 760 mmHg
Flash Point
200.1ºC
Density
1.167g/cm³
Exact Mass
301.13100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular formula is C17H19NO4.
What is the molecular weight of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The molecular weight is 301.34 g/mol.
What is the IUPAC name of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The IUPAC name is diethyl 7,8-dimethylquinoline-2,3-dicarboxylate.
What is the InChI of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The InChI is InChI=1S/C17H19NO4/c1-5-21-16(19)13-9-12-8-7-10(3)11(4)14(12)18-15(13)17(20)22-6-2/h7-9H,5-6H2,1-4H3.
What is the InChIKey of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The InChIKey is YHQALXIBYBFOCI-UHFFFAOYSA-N.
What is the Canonical SMILES of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The Canonical SMILES is CCOC(=O)C1=C(N=C2C(=C(C=CC2=C1)C)C)C(=O)OCC.
What is the XLogP3-AA value of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The XLogP3-AA value is 3.7.
How many hydrogen bond donor counts are there in 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
There are 0 hydrogen bond donor counts.
What is the topological polar surface area of 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester?
The topological polar surface area is 65.5 square angstroms.
Is 7,8-Dimethylquinoline-2,3-dicarboxylic acid diethyl ester in the canonicalized form?
Yes, the compound is canonicalized.
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