Basic information
- CAS
40801-09-0- Standard SMILES
COC(=O)c1c(C)[nH]c(C)c1C(=O)OC- InChIKey
LQWZQGXYZHIWML-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
- IUPAC
- dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
Names & synonyms
dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate40801-09-0DTXSID10310324RefChem:338486DTXCID80261450NSC225258NSC-225258
Database identifiers
- CAS
40801-09-0- PubChem CID
- 312932
- DTXSID
DTXSID10310324
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…