Basic information
- CAS
14201-58-2- Standard SMILES
COc1ccc(C2=CC(=O)OC2)cc1C(C)=O- InChIKey
PTNTZAYEADFZLE-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 4-(3-Acetyl-4-methoxyphenyl)furan-2(5H)-one
- IUPAC
- 3-(3-acetyl-4-methoxyphenyl)-2H-furan-5-one
- English name
- 4-(3-acetyl-4-methoxyphenyl)furan-2(5H)-one
- Molecular formula
- C13H12O4
- Molecular weight
- 232.23198
Names & synonyms
4-(3-Acetyl-4-methoxyphenyl)furan-2(5H)-one14201-58-23-(3-acetyl-4-methoxyphenyl)-2H-furan-5-oneU2FTM9W2TQEINECS 238-053-9UNII-U2FTM9W2TQDTXSID60161924PTNTZAYEADFZLE-UHFFFAOYSA-NNS000246102(5H)-FURANONE, 4-(3-ACETYL-4-METHOXYPHENYL)-4-(3-Acetyl-4-methoxyphenyl)-2(5H)-furanone
Database identifiers
- CAS
14201-58-2- PubChem CID
- 84252
- DTXSID
DTXSID60161924- UNII
- U2FTM9W2TQ
- EC Number
- 238-053-9
- Nikkaji
- J216.901K
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 358
Physicochemical properties
- Boiling point
- 452.6 · 452.6±45.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- FDA UNII
- 2 FTM9W2TQ · U2FTM9W2TQ
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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