Basic information
- CAS
5463-46-7- Standard SMILES
CCOC(=O)c1[nH]c(C)c(C(C)=NO)c1C- InChIKey
GVTLKBLWKJUIQO-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Names & synonyms
Maybridge1_004673Oprea1_697001CBDivE_008376HMS2758E18
Database identifiers
- CAS
5463-46-7- PubChem CID
- 224713
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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