Basic information
- CAS
53924-19-9- Standard SMILES
O=C(O)Cn1c(C2c3ccccc3Oc3ccccc32)c(C2c3ccccc3Oc3ccccc32)c2ccccc21- InChIKey
MPTVCJGKBAHYHW-UHFFFAOYSA-N- Molecular formula
- C36H25NO4
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.17835828
Names & identifiers
- Preferred name
- 1H-Indole-1-acetic acid, 2,3-di-9H-xanthen-9-yl-
- IUPAC
- 2-[2,3-bis(9H-xanthen-9-yl)indol-1-yl]acetic acid
Names & synonyms
2,3-Di-9H-xanthen-9-yl-1H-indole-1-acetic acid53924-19-91H-INDOLE-1-ACETIC ACID, 2,3-DI-9H-XANTHEN-9-YL-DTXSID10202215RefChem:238865DTXCID10124706[2,3-Di(9H-xanthen-9-yl)-1H-indol-1-yl]acetic acid
Database identifiers
- CAS
53924-19-9- PubChem CID
- 40937
- DTXSID
DTXSID10202215
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 897
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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