Basic information
- CAS
53924-41-7- Standard SMILES
Cn1c(C(=O)O)c(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc21- InChIKey
CJWJTZOASDCUEV-UHFFFAOYSA-N- Molecular formula
- C24H19NO4
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.13140809
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-((4'-carboxy(1,1'-biphenyl)-4-yl)methyl)-1-methyl-
- IUPAC
- 3-[[4-(4-carboxyphenyl)phenyl]methyl]-1-methylindole-2-carboxylic acid
Names & synonyms
53924-41-71H-Indole-2-carboxylic acid, 3-((4'-carboxy(1,1'-biphenyl)-4-yl)methyl)-1-methyl-DTXSID302022173-((4'-Carboxy(1,1'-biphenyl)-4-yl)methyl)-1-methyl-1H-indole-2-carboxylic acid3-[(4'-Carboxy[1,1'-biphenyl]-4-yl)methyl]-1-methyl-1H-indole-2-carboxylic acidRefChem:238959DTXCID301247083-[(4'-Carboxy-4-biphenylyl)methyl]-1-methyl-1H-indole-2-carboxylic acid
Database identifiers
- CAS
53924-41-7- PubChem CID
- 40941
- DTXSID
DTXSID30202217
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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