CAS
948289-44-9 Purity
96%
948289-44-9 Purity
96%
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6-Ethoxy-2-methylquinoline-3-carboxylic acid
CAS
948289-62-1
Catalog Number
ACM948289621
Category
Other Products
Molecular Weight
231.25
Molecular Formula
C13H13NO3
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Specification
Synonyms
6-Ethoxy-2-methylquinoline-3-carboxylic acid, 948289-62-1, AGN-PC-01A9P6, AKOS015868485, AB52328, MCULE-9772601794
IUPAC Name
6-ethoxy-2-methylquinoline-3-carboxylic acid
Canonical SMILES
CCOC1=CC2=CC(=C(N=C2C=C1)C)C(=O)O
InChI Key
LHZRQQXTWTXFEY-UHFFFAOYSA-N
Boiling Point
390.3ºC at 760 mmHg
Flash Point
189.8ºC
Density
1.242g/cm³
Exact Mass
231.09000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 6-Ethoxy-2-methylquinoline-3-carboxylic acid?
The molecular formula is C13H13NO3.
When was this compound created and last modified?
It was created on 2007-11-13 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 6-ethoxy-2-methylquinoline-3-carboxylic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CCOC1=CC2=CC(=C(N=C2C=C1)C)C(=O)O.
What is the InChIKey of the compound?
The InChIKey is LHZRQQXTWTXFEY-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 231.25 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 59.4 Ų.
How many heavy atoms are present in the compound?
There are 17 heavy atoms in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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