(4,7-Dimethyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid
Basic information
- CAS
24766-48-1- Standard SMILES
Cc1ccc(C)c2c1C(=O)OC2(CC(=O)O)c1ccccc1- InChIKey
AMLFEXKTSNOCFH-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- (4,7-Dimethyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid
- IUPAC
- 2-(4,7-dimethyl-3-oxo-1-phenyl-2-benzofuran-1-yl)acetic acid
Names & synonyms
24766-48-1NSC171692DTXSID60305801(4,7-dimethyl-3-oxo-1-phenyl-1,3-dihydro-2-benzofuran-1-yl)acetic acidNSC-171692
Database identifiers
- CAS
24766-48-1- PubChem CID
- 299222
- DTXSID
DTXSID60305801
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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