Basic information
- Standard SMILES
O=C(O)c1cc(OCc2ccccc2)ccc1OC1CCOC1=O- InChIKey
SZMWKKSGZBMQOD-UHFFFAOYSA-N- Molecular formula
- C18H16O6
- Average molar mass
- 328.3 g/mol
Names & identifiers
- Preferred name
- alpha-[(2-Carboxy-4-benzyloxyphenyl)oxy]-gamma-butyrolactone
- IUPAC
- 2-(2-oxooxolan-3-yl)oxy-5-phenylmethoxybenzoic acid
Names & synonyms
SCHEMBL11389304SZMWKKSGZBMQOD-UHFFFAOYSA-Nalpha-[(2-carboxy-4-benzyloxyphenyl)oxy]-gamma-butyrolactone
Database identifiers
- PubChem CID
- 12925947
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
1 records
Compound notes
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