Basic information
- CAS
5493-39-0- Standard SMILES
O=C(OCc1ccccc1)N1C(O)C=CC1O- InChIKey
LDPJYBNWCKPGEN-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- benzyl 2,5-dihydroxy-2,5-dihydro-1H-pyrrole-1-carboxylate
- IUPAC
- benzyl 2,5-dihydroxy-2,5-dihydropyrrole-1-carboxylate
Names & synonyms
benzyl 2,5-dihydroxy-2,5-dihydro-1H-pyrrole-1-carboxylateDTXSID7011745705493-39-0benzyl 2,5-dihydroxy-2,5-dihydropyrrole-1-carboxylatePhenylmethyl 2,5-dihydro-2,5-dihydroxy-1H-pyrrole-1-carboxylate
Database identifiers
- CAS
5493-39-0- PubChem CID
- 24972751
- DTXSID
DTXSID701174570
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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