Basic information
- CAS
53924-18-8- Standard SMILES
O=C(O)Cn1cc(C2c3ccccc3Oc3ccccc32)c2ccccc21- InChIKey
ULQLJGAKYMDNPQ-UHFFFAOYSA-N- Molecular formula
- C23H17NO3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.1208434
Names & identifiers
- Preferred name
- 1H-Indole-1-acetic acid, 3-(9H-xanthen-9-yl)-
- IUPAC
- 2-[3-(9H-xanthen-9-yl)indol-1-yl]acetic acid
Names & synonyms
53924-18-83-(9H-Xanthen-9-yl)-1H-indole-1-acetic acid1H-INDOLE-1-ACETIC ACID, 3-(9H-XANTHEN-9-YL)-DTXSID50202214RefChem:238870DTXCID501247052-(3-(9H-Xanthen-9-yl)-1H-indol-1-yl)acetic acid[3-(9H-xanthen-9-yl)-1H-indol-1-yl]acetic acid
Database identifiers
- CAS
53924-18-8- PubChem CID
- 40936
- DTXSID
DTXSID50202214
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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