2,5-Pyrrolidinedione, 1-[3-(hydroxymethyl)phenyl]-
Basic information
- CAS
893751-24-1- Standard SMILES
O=C1CCC(=O)N1c1cccc(CO)c1- InChIKey
BSHZEYFEJMJBHQ-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-[3-(hydroxymethyl)phenyl]-
- IUPAC
- 1-[3-(hydroxymethyl)phenyl]pyrrolidine-2,5-dione
Names & synonyms
2,5-Pyrrolidinedione, 1-[3-(hydroxymethyl)phenyl]-DTXSID201227592AKOS004115510893751-24-11-[3-(hydroxymethyl)phenyl]pyrrolidine-2,5-dione
Database identifiers
- CAS
893751-24-1- PubChem CID
- 23005458
- DTXSID
DTXSID201227592
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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