Basic information
- CAS
142273-50-5- Standard SMILES
COC(=O)C=C1OC(c2ccccc2)=CC1=O- InChIKey
BNDXBUTZZWDWHM-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- Acetic acid, (3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester, (Z)-
- IUPAC
- methyl 2-(3-oxo-5-phenylfuran-2-ylidene)acetate
Names & synonyms
142273-50-5Acetic acid, (3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester, (Z)-DTXSID20327660RefChem:316208DTXCID90278771Maybridge4_003501NCI60_026525Methyl (3-oxo-5-phenylfuran-2(3H)-ylidene)acetate2-methoxycarbonylmethylene-5-phenyl-2,3-dihydrofuran-3-one
Database identifiers
- CAS
142273-50-5- PubChem CID
- 384682
- DTXSID
DTXSID20327660
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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