CAS
948293-77-4 Purity
96%
948293-77-4 Purity
96%
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5,7-Dimethyl-4-hydroxyquinoline-3-carboxylic acid
CAS
948293-86-5
Catalog Number
ACM948293865
Category
Other Products
Molecular Weight
217.22
Molecular Formula
C12H11NO3
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Specification
Synonyms
5,7-DIMETHYL-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID
IUPAC Name
5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
Canonical SMILES
CC1=CC(=C2C(=C1)NC=C(C2=O)C(=O)O)C
InChI Key
OSORQRJBQWVNLE-UHFFFAOYSA-N
Boiling Point
394.4ºC at 760 mmHg
Flash Point
192.3ºC
Density
1.317g/cm³
Exact Mass
217.07400
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 3944703?
The molecular formula is C12H11NO3.
What is the molecular weight of the compound?
The molecular weight is 217.22 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the InChIKey of the compound?
The InChIKey is OSORQRJBQWVNLE-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.6.
What is the topological polar surface area of the compound?
The topological polar surface area is 66.4 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the formal charge of the compound?
The formal charge is 0.
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