CAS
948291-38-1 Purity
96%
948291-38-1 Purity
96%
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2,6,8-Trimethylquinoline-3-carboxylic acid ethyl ester
CAS
948291-48-3
Catalog Number
ACM948291483
Category
Other Products
Molecular Weight
243.300980 [g/mol]
Molecular Formula
C15H17NO2
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Specification
Synonyms
2,6,8-Trimethylquinoline-3-carboxylic acid ethyl ester, 948291-48-3, ETHYL 2,6,8-TRIMETHYLQUINOLINE-3-CARBOXYLATE, AGN-PC-01A9GJ, CTK8E3547, ZINC32099264, AB51632
IUPAC Name
ethyl 2,6,8-trimethylquinoline-3-carboxylate
SMILES
CCOC(=O)C1=C(N=C2C(=CC(=CC2=C1)C)C)C
InChI Key
YBNLPWMPCOZQQA-UHFFFAOYSA-N
Boiling Point
343.6ºC at 760 mmHg
Flash Point
161.6ºC
Density
1.105g/cm³
Exact Mass
243.12600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2,6,8-Trimethylquinoline-3-carboxylic acid ethyl ester?
The molecular formula is C15H17NO2.
When was the compound created and last modified according to PubChem?
The compound was created on November 13, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 2,6,8-Trimethylquinoline-3-carboxylic acid ethyl ester?
The IUPAC name is ethyl 2,6,8-trimethylquinoline-3-carboxylate.
What is the InChIKey of 2,6,8-Trimethylquinoline-3-carboxylic acid ethyl ester?
The InChIKey is YBNLPWMPCOZQQA-UHFFFAOYSA-N.
What is the Canonical SMILES for the compound?
The Canonical SMILES is CCOC(=O)C1=CC2=CC(=CC(=C2N=C1C)C)C.
What is the exact mass of the compound?
The exact mass is 243.125928785 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
How many rotatable bonds are in the compound?
There are 3 rotatable bonds in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 39.2?2.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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