CAS
93189-07-2 Purity
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93189-07-2 Purity
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2,6,8-Trimethylquinoline-4-carboxylate
CAS
93189-20-9
Catalog Number
ACM93189209
Category
Other Products
Molecular Weight
215.25
Molecular Formula
C13H12NO2-
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Specification
Synonyms
2,6,8-TRIMETHYL-QUINOLINE-4-CARBOXYLIC ACID;CHEMBRDG-BB 4003466;TIMTEC-BB SBB011314;4-quinolinecarboxylic acid, 2,6,8-trimethyl-
IUPAC Name
2,6,8-trimethylquinoline-4-carboxylate
Canonical SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C)C(=O)O)C
InChI Key
AODVVXXIFHFAMN-UHFFFAOYSA-M
Boiling Point
372ºC at 760mmHg
Flash Point
178.8ºC
Density
g/cm³
Exact Mass
215.09500
H-Bond Acceptor
3
H-Bond Donor
0
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2,6,8-trimethylquinoline-4-carboxylate.
What is the molecular formula of the compound?
The molecular formula of the compound is C13H12NO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 214.24 g/mol.
What is the CAS number of the compound?
The CAS number of the compound is 93189-20-9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 0 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 53.2.
How many heavy atom counts does the compound have?
The compound has 16 heavy atom counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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