Basic information
- CAS
1221499-54-2- Standard SMILES
CC(=O)Nc1ccc(C(=O)C(C)C(C(=O)O)C(=O)O)cc1- InChIKey
ICJNRQPKVGSXNH-UHFFFAOYSA-N- Molecular formula
- C14H15NO6
- Average molar mass
- 293.27 g/mol
Names & identifiers
- Preferred name
- 2-(1-(4-acetaMidophenyl)-1-oxopropan-2-yl)Malonic acid
- IUPAC
- 2-[1-(4-acetamidophenyl)-1-oxopropan-2-yl]propanedioic acid
- English name
- 2-(1-(4-acetaMidophenyl)-1-oxopropan-2-yl)Malonic acid
- Molecular formula
- C14H15NO6
- Molecular weight
- 293.272
Names & synonyms
Levosimendan Impurity NLevosimendan Impurity 1101221499-54-22-(1-(4-acetaMidophenyl)-1-oxopropan-2-yl)Malonic acid2-[2-[4-(Acetylamino)phenyl]-1-methyl-2-oxoethyl]propanedioic acidPropanedioic acid, 2-[2-[4-(acetylamino)phenyl]-1-methyl-2-oxoethyl]-2-[2-[4-(Acetcarboxcarboxcarboxamido)phenyl]-1-methyl-2-oxoethyl]malonic acid
Database identifiers
- CAS
1221499-54-2
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Chemistry & industry
Suppliers4 total
希瓦生物科技（广州）有限公司13268215580 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
四川鸿日医药科技有限公司1898-2685405 18380436509 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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