9-(2-Carboxyphenyl)-3,6-bis(dimethylamino)xanthylium
Basic information
- CAS
62669-71-0- Standard SMILES
CN(C)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1- InChIKey
ABZLKHKQJHEPAX-UHFFFAOYSA-O- Molecular formula
- C24H23N2O3+
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.1708676
Names & identifiers
- Preferred name
- 9-(2-Carboxyphenyl)-3,6-bis(dimethylamino)xanthylium
- IUPAC
- [9-(2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
Names & synonyms
9-(2-carboxyphenyl)-3,6-bis(dimethylamino)xanthylium62669-71-0RefChem:312755A1EI4Probes1_000209SCHEMBL1264079SCHEMBL2054818DTXSID5012201459-(2-Carboxyphenyl)-3,6-bis(dimethylamino)xanthen-10-ium
Database identifiers
- CAS
62669-71-0- PubChem CID
- 65220
- DTXSID
DTXSID501220145- Nikkaji
- J1.861.838I、J423.149J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 757
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Compound notes
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