Basic information
- CAS
65100-86-9- Standard SMILES
COC(=O)c1[nH]c(C=O)c(C(=O)OC)c1C- InChIKey
QBIVKKLJRCHHAV-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester
- IUPAC
- dimethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
Names & synonyms
Dimethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate65100-86-91H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl esterSCHEMBL7252775DTXSID50432211
Database identifiers
- CAS
65100-86-9- PubChem CID
- 9877902
- DTXSID
DTXSID50432211
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…