2-Pyrrolidinone, 3-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-, (+-)-
Basic information
- CAS
84264-71-1- Standard SMILES
COc1ccc(C(=O)N2CCC(O)C2=O)cc1O- InChIKey
VUOZPAGAAMBEGM-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
- Monoisotopic mass
- 251.07937252
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 3-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-, (+-)-
- IUPAC
- 3-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)pyrrolidin-2-one
Names & synonyms
84264-71-12-Pyrrolidinone, 3-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-, (+-)-RefChem:1064756(R,S)-3-Hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-2-pyrrolidinone(+-)-3-Hydroxy-1-(3-hydroxy-4-methoxybenzoyl)-2-pyrrolidinoneSCHEMBL109523533-hydroxy-1-(3-hydroxy-4-methoxybenzoyl)pyrrolidin-2-oneDTXSID901004575
Database identifiers
- CAS
84264-71-1- PubChem CID
- 3069072
- DTXSID
DTXSID901004575
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…