1-Methoxy-1H,3H-naphtho[1,8-cd]pyran
Basic information
- CAS
100656-04-0- Standard SMILES
COC1OCc2cccc3cccc1c23- InChIKey
LFEDTWVJRYQQLJ-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- 1-Methoxy-1H,3H-naphtho[1,8-cd]pyran
- IUPAC
- 2-methoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
Names & synonyms
100656-04-01-Methoxy-1H,3H-naphtho[1,8-cd]pyranDTXSID901291328
Database identifiers
- CAS
100656-04-0- PubChem CID
- 13613693
- DTXSID
DTXSID901291328
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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