2-Methoxy-1,2,3,4-tetrahydro-9h-xanthen-9-one
Basic information
- CAS
5928-16-5- Standard SMILES
COC1CCc2oc3ccccc3c(=O)c2C1- InChIKey
IRNILVBASYLHOO-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 2-Methoxy-1,2,3,4-tetrahydro-9h-xanthen-9-one
- IUPAC
- 2-methoxy-1,2,3,4-tetrahydroxanthen-9-one
Names & synonyms
2-methoxy-1,2,3,4-tetrahydro-9h-xanthen-9-oneNSC1354175928-16-5AKOS024321374NSC-135417
Database identifiers
- CAS
5928-16-5- PubChem CID
- 282227
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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