CAS
92513-36-5 Purity
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92513-36-5 Purity
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7,8-Dimethylquinoline-2,3-dicarboxylic acid
CAS
92513-45-6
Catalog Number
ACM92513456
Category
Other Products
Molecular Weight
245.23
Molecular Formula
C13H11NO4
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Specification
Synonyms
7,8-Dimethylquinoline-2,3-dicarboxylic acid, 92513-45-6, AGN-PC-00NQW2, AB52366, 2,3-Quinolinedicarboxylic acid, 7,8-dimethyl-, 7,8-DIMETHYL-2,3-QUINOLINEDICARBOXYLIC ACID
IUPAC Name
7,8-dimethylquinoline-2,3-dicarboxylic acid
Canonical SMILES
CC1=C(C2=NC(=C(C=C2C=C1)C(=O)O)C(=O)O)C
InChI Key
ANUZYKZGDFKACM-UHFFFAOYSA-N
Boiling Point
449.5ºC at 760 mmHg
Flash Point
225.7ºC
Density
1.406g/cm³
Exact Mass
245.06900
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 7,8-Dimethylquinoline-2,3-dicarboxylic acid?
The molecular formula is C13H11NO4.
How was the molecular weight of 7,8-Dimethylquinoline-2,3-dicarboxylic acid computed?
It was computed by PubChem 2.1.
What is the IUPAC name of 7,8-Dimethylquinoline-2,3-dicarboxylic acid?
The IUPAC name is 7,8-dimethylquinoline-2,3-dicarboxylic acid.
What is the InChI of 7,8-Dimethylquinoline-2,3-dicarboxylic acid?
The InChI is InChI=1S/C13H11NO4/c1-6-3-4-8-5-9(12(15)16)11(13(17)18)14-10(8)7(6)2/h3-5H,1-2H3,(H,15,16)(H,17,18).
What is the Canonical SMILES representation of 7,8-Dimethylquinoline-2,3-dicarboxylic acid?
The Canonical SMILES is CC1=C(C2=NC(=C(C=C2C=C1)C(=O)O)C(=O)O)C.
What is the XLogP3-AA value of 7,8-Dimethylquinoline-2,3-dicarboxylic acid?
The XLogP3-AA value is 2.3.
How many hydrogen bond donor counts does 7,8-Dimethylquinoline-2,3-dicarboxylic acid have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 7,8-Dimethylquinoline-2,3-dicarboxylic acid?
The topological polar surface area is 87.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound created and last modified in PubChem?
It was created on 2007-02-08 and last modified on 2023-12-30.
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