CAS
948290-95-7 Purity
96%
948290-95-7 Purity
96%
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2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester
CAS
948291-02-9
Catalog Number
ACM948291029
Category
Other Products
Molecular Weight
243.3
Molecular Formula
C15H17NO2
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Specification
Synonyms
2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester, 948291-02-9, ETHYL 2,5,7-TRIMETHYLQUINOLINE-3-CARBOXYLATE, SureCN554157, AGN-PC-01A9GA, CTK8E3519, ZINC32099259, AB51605
IUPAC Name
ethyl 2,5,7-trimethylquinoline-3-carboxylate
Canonical SMILES
CCOC(=O)C1=C(N=C2C=C(C=C(C2=C1)C)C)C
InChI Key
LRPXAGBVZQSZPL-UHFFFAOYSA-N
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
The molecular formula is C15H17NO2.
When was 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester created according to the reference?
It was created on November 13, 2007.
What is the InChIKey of 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
The InChIKey is LRPXAGBVZQSZPL-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
There are 3 hydrogen bond acceptors.
What is the XLogP3-AA value of 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
The XLogP3-AA value is 3.5.
How many rotatable bonds are in 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
There are 3 rotatable bonds.
What is the topological polar surface area of 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
The topological polar surface area is 39.2 Å2.
Is 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester a canonicalized compound according to the reference?
Yes, it is canonicalized.
How many heavy atoms are in 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
There are 18 heavy atoms.
What is the complexity value of 2,5,7-Trimethylquinoline-3-carboxylic acid ethyl ester according to the reference?
The complexity value is 305.
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