Basic information
- CAS
67697-31-8- Standard SMILES
CCn1c(C)c(C(=O)c2cc(C(=O)O)ccc2C(=O)O)c2ccccc21- InChIKey
ZXJGBGUTCPMOCU-UHFFFAOYSA-N- Molecular formula
- C20H17NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.11067264
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-
- IUPAC
- 2-(1-ethyl-2-methylindole-3-carbonyl)terephthalic acid
- English name
- 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]terephthalic acid
- Molecular formula
- C20H17NO5
- Molecular weight
- 351.35
Names & synonyms
1,4-Benzenedicarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-EINECS 266-910-7DTXSID60705681,4-Benzenedicarboxylic acid, 2-((1-ethyl-2-methyl-1H-indol-3-yl)carbonyl)-RefChem:416034DTXCID604498167697-31-8L73ZH2EQQ7ZXJGBGUTCPMOCU-UHFFFAOYSA-N2-((1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl)terephthalic acid2-(1-Ethyl-2-methyl-1H-indole-3-carbonyl)benzene-1,4-dicarboxylic acid2-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]-1,4-benzenedicarboxylic acid
Show more names
2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]terephthalic acid
NS00036161
Database identifiers
- CAS
67697-31-8- PubChem CID
- 105556
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenedicarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]- (67697-31-8)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedicarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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