Basic information
- CAS
89216-78-4- Standard SMILES
CCCOc1ccc2oc3cc(C(=O)OC)ccc3c(=O)c2c1- InChIKey
QDURBBQRQXAYET-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Names & identifiers
- Preferred name
- Methyl 9-oxo-7-propoxy-9H-xanthene-3-carboxylate
- IUPAC
- methyl 9-oxo-7-propoxyxanthene-3-carboxylate
Names & synonyms
89216-78-4DTXSID70752423METHYL 9-OXO-7-PROPOXY-9H-XANTHENE-3-CARBOXYLATE
Database identifiers
- CAS
89216-78-4- PubChem CID
- 71322780
- DTXSID
DTXSID70752423
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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