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2-(2,6-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid

HCID 477697
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
110768-27-9
Standard SMILES
Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIKey
QGMBPHSYAMSDPV-UHFFFAOYSA-N
Molecular formula
C17H13NO4
Average molar mass
295.29 g/mol

Names & identifiers

Preferred name
2-(2,6-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
English name
2-(2,6-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Molecular formula
C17H13NO4
Molecular weight
295.29

Names & synonyms

2-(2,6-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid2-(2,6-Dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic Acid1H-Isoindole-5-carboxylic acid, 2-(2,6-dimethylphenyl)-2,3-dihydro-1,3-dioxo-

Database identifiers

CAS
110768-27-9
PubChem CID
477697
EC Number
163-321-6
Nikkaji
J1.008.596I

Properties

Physicochemical properties

Boiling point
528.1 · 528.1±60.0 °C(Predicted)
Density
1.393 · 1.393±0.06 g/cm3(Predicted)
pka
3.32 · 3.32±0.20(Predicted)

Chemistry & industry

Suppliers1 total

湖北扬信医药科技有限公司15347293736 · [email protected]

Related reactions

4 records
New reaction record
HRID 116443 reaction equation
HRID 116443As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1144902 reaction equation
HRID 1144902As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1515056 reaction equation
HRID 1515056As productuspto-grants-2012_07
HRID 1515057 reaction equation
HRID 1515057As reactantuspto-grants-2012_07

Compound notes

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