Basic information
- CAS
433249-95-7- Standard SMILES
O=C(COC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1- InChIKey
AEMYUOPAFUHULM-UHFFFAOYSA-N- Molecular formula
- C21H14O4
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.08920892
Names & identifiers
- Preferred name
- 2-Oxo-2-phenylethyl naphtho[2,1-b]furan-2-carboxylate
- IUPAC
- phenacyl benzo[e][1]benzofuran-2-carboxylate
Names & synonyms
2-oxo-2-phenylethyl naphtho[2,1-b]furan-2-carboxylate433249-95-7phenacyl benzo[e][1]benzofuran-2-carboxylateOprea1_086376DTXSID901214536STK075168AKOS000371640
Database identifiers
- CAS
433249-95-7- PubChem CID
- 799012
- DTXSID
DTXSID901214536
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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