CAS
948294-04-0 Purity
96%
948294-04-0 Purity
96%
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5-Chloro-8-methylquinoline-2,3-dicarboxylic acid
CAS
948294-19-7
Catalog Number
ACM948294197
Category
Other Products
Molecular Weight
265.65
Molecular Formula
C12H8ClNO4
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Specification
Synonyms
5-Chloro-8-methylquinoline-2,3-dicarboxylic acid, 948294-19-7, AGN-PC-01A9NZ, AB52238
IUPAC Name
5-chloro-8-methylquinoline-2,3-dicarboxylic acid
Canonical SMILES
CC1=C2C(=C(C=C1)Cl)C=C(C(=N2)C(=O)O)C(=O)O
InChI Key
OACYTXMHYQXITK-UHFFFAOYSA-N
Boiling Point
465ºC at 760 mmHg
Flash Point
235ºC
Density
1.562g/cm³
Exact Mass
265.01400
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 5-Chloro-8-methylquinoline-2,3-dicarboxylic acid?
The molecular formula is C12H8ClNO4.
What is the molecular weight of 5-Chloro-8-methylquinoline-2,3-dicarboxylic acid?
The molecular weight is 265.65 g/mol.
When was this compound first created and when was it last modified?
It was first created on November 13, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 5-Chloro-8-methylquinoline-2,3-dicarboxylic acid?
The IUPAC name is 5-chloro-8-methylquinoline-2,3-dicarboxylic acid.
What is the InChI representation of the compound?
The InChI representation is InChI=1S/C12H8ClNO4/c1-5-2-3-8(13)6-4-7(11(15)16)10(12(17)18)14-9(5)6/h2-4H,1H3,(H,15,16)(H,17,18).
What is the Canonical SMILES representation of 5-Chloro-8-methylquinoline-2,3-dicarboxylic acid?
The Canonical SMILES is CC1=C2C(=C(C=C1)Cl)C=C(C(=N2)C(=O)O)C(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of 5-Chloro-8-methylquinoline-2,3-dicarboxylic acid?
The topological polar surface area is 87.5 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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