ethyl N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylate iron chelate
Basic information
- CAS
4450-97-9- Standard SMILES
CCOC(=O)C1=C(O)C(=O)N(C)C1- InChIKey
DSDSKBLQRIVSTN-UHFFFAOYSA-N- Molecular formula
- C8H11NO4
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.06880783
Overview
RN refers to non-iron-containing chelate
Names & identifiers
- Preferred name
- ethyl N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylate iron chelate
- IUPAC
- ethyl 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
- English name
- ethyl N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylate iron chelate
- Molecular formula
- C8H11NO4
- Molecular weight
- 185.18
Names & synonyms
Opc iron chelate4450-97-9Ethyl N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylate iron chelateDTXSID90196204Iron chelate, N-methyl-4-hydroxy-5-oxo-3-pyrroline-3-carboxylic acid ethyl esterRefChem:139007DTXCID60118695Ethyl 4-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate3-Pyrroline-3-carboxylic acid, 4-hydroxy-1-methyl-5-oxo-, ethyl esterethyl 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylateSCHEMBL23910261DSDSKBLQRIVSTN-UHFFFAOYSA-N
Show more names
1H-Pyrrole-3-carboxylic acid, 2,5-dihydro-4-hydroxy-1-methyl-5-oxo-, ethyl ester
AKOS024325449ST50447791Ethyl 4-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate #4-Hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid, ethyl ester
Database identifiers
- CAS
4450-97-9- PubChem CID
- 54677458
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 372 · 372.0±42.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
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Related reactions
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Compound notes
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