2H-Pyran-2-one, 5-benzoyl-
Basic information
- CAS
55588-79-9- Standard SMILES
O=C(c1ccccc1)c1ccc(=O)oc1- InChIKey
RSMYYOYTUZKGLT-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 5-benzoyl-
- IUPAC
- 5-benzoylpyran-2-one
Names & synonyms
2H-Pyran-2-one, 5-benzoyl-55588-79-9DTXSID80357827RefChem:268886DTXCID303088845-(phenylcarbonyl)-2H-pyran-2-one5-Benzoyl-2H-pyran-2-one5-(phenylcarbonyl)pyran-2-oneSTK367108AKOS005443701ST50902491SR-01000217818
Show more names
SR-01000217818-1
Database identifiers
- CAS
55588-79-9- PubChem CID
- 869050
- DTXSID
DTXSID80357827- Nikkaji
- J416.513F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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