Basic information
- Standard SMILES
O=C(O)CC=C1c2ccc(O)cc2Oc2cc(O)ccc21- InChIKey
GMCDQNXUEPJXMF-UHFFFAOYSA-N- Molecular formula
- C16H12O5
- Average molar mass
- 284.26 g/mol
Names & identifiers
- Preferred name
- 9-(Carboxyethylidene)-3,6-dihydroxy-9H-xanthene
- IUPAC
- 3-(3,6-dihydroxyxanthen-9-ylidene)propanoic acid
Names & synonyms
SCHEMBL8845451GMCDQNXUEPJXMF-UHFFFAOYSA-N9-(Carboxyethylidene)-3,6-dihydroxy-9H-xanthene
Database identifiers
- PubChem CID
- 19958004
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
5 records
Compound notes
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