2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid
Basic information
- CAS
2975-71-5- Standard SMILES
O=C(O)c1ccccc1CC1OC(=O)c2ccccc21- InChIKey
QTJSKUCNPMCNDA-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid
- IUPAC
- 2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]benzoic acid
Names & synonyms
2975-71-52-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acidNSC17122SCHEMBL11437041DTXSID80280484QTJSKUCNPMCNDA-UHFFFAOYSA-NBenzoic acid,2-[(1,3-dihydro-3-oxo-1-isobenzofuranyl)methyl]-NSC-17122AKOS004905519DS-0103923-(2-carboxybenzyl)-2-benzofuran-1(3h)-one2-(3-Oxo-1,3-dihydroisobenzofuran-1-ylmethyl)benzoic acid
Show more names
2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid #
Database identifiers
- CAS
2975-71-5- PubChem CID
- 226549
- DTXSID
DTXSID80280484
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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