Basic information
- CAS
79473-26-0- Standard SMILES
O=C(O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1- InChIKey
XTFKBIVLUVPNBD-UHFFFAOYSA-N- Molecular formula
- C16H11NO5
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.06372245
Names & identifiers
- Preferred name
- 2-[4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acid
- IUPAC
- 2-[4-(1,3-dioxoisoindol-2-yl)phenoxy]acetic acid
Names & synonyms
Oprea1_290651Oprea1_523874DTXSID7011711402-[4-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy]acetic acidAKOS00074620279473-26-0ST50224546SR-01000367479SR-01000367479-12-[4-(1,3-dioxobenzo[c]azolin-2-yl)phenoxy]acetic acid[4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]acetic acid
Database identifiers
- CAS
79473-26-0- PubChem CID
- 831263
- DTXSID
DTXSID701171140
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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