4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid
Basic information
- CAS
5741-28-6- Standard SMILES
COc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(OC)c1- InChIKey
BLMGHTRZSFKFDP-UHFFFAOYSA-N- Molecular formula
- C17H15NO7
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.08485182
Names & identifiers
- Preferred name
- 4-((2,4-Dimethoxyphenyl)carbamoyl)isophthalic acid
- IUPAC
- 4-[(2,4-dimethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
Names & synonyms
325472-33-14-((2,4-dimethoxyphenyl)carbamoyl)isophthalic acid4-[(2,4-dimethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid5741-28-6CBMicro_030932Oprea1_061202Oprea1_624194DTXSID80972897AKOS002228410ST100658BIM-0030823.P001EU-0073171
Show more names
ST50102382F1018-03484-[N-(2,4-dimethoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid4-{[(2,4-Dimethoxyphenyl)imino](hydroxy)methyl}benzene-1,3-dicarboxylic acid
Database identifiers
- CAS
5741-28-6- PubChem CID
- 737579
- DTXSID
DTXSID80972897
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 509
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Related reactions
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Compound notes
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