Basic information
- CAS
53949-11-4- Standard SMILES
O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1- InChIKey
LISLDGCWYOIVSJ-RVDMUPIBSA-N- Molecular formula
- C17H12O2
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.08372962
Overview
See also: 3-Benzylidene-2,3-dihydro-5-phenyl-2-furanone (annotation moved to).
Names & identifiers
- Preferred name
- (3E)-5-Phenyl-3-(phenylmethylene)-2(3H)-furanone
- IUPAC
- (3E)-3-benzylidene-5-phenylfuran-2-one
Names & synonyms
53949-11-4(3E)-5-Phenyl-3-(phenylmethylene)-2(3H)-furanoneRefChem:2079923-benzylidene-5-phenylfuran-2(3h)-one(3e)-3-benzylidene-5-phenylfuran-2(3h)-one2(3H)-Furanone, 5-phenyl-3-(phenylmethylene)-4361-96-0LISLDGCWYOIVSJ-RVDMUPIBSA-NDTXSID201237705AKOS0272951043-Benzylidene-5-phenyl-2(3H)-furanone(E)-3-benzylidene-5-phenylfuran-2(3H)-one
Show more names
.DELTA..beta.,.gamma.-Butenolide, .gamma.-phenyl-.alpha.-(phenylmethylene)-
Database identifiers
- CAS
53949-11-4- PubChem CID
- 714690
- DTXSID
DTXSID201237705- Nikkaji
- J408.487J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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