Basic information
- CAS
87730-77-6- Standard SMILES
COC(=O)CC(=O)C[N+](=O)[O-]- InChIKey
MZQWLZOGBSPIQY-UHFFFAOYSA-N- Molecular formula
- C5H7NO5
- Average molar mass
- 161.11 g/mol
- Monoisotopic mass
- 161.03242232
Names & identifiers
- Preferred name
- Methyl 4-nitro-3-oxobutanoate
- IUPAC
- methyl 4-nitro-3-oxobutanoate
Names & synonyms
Methyl 4-nitro-3-oxobutanoate87730-77-6DTXSID70336848RefChem:355802DTXCID60287936Methyl 4-nitro-3-oxobutanoate #MZQWLZOGBSPIQY-UHFFFAOYSA-N4-Nitro-3-oxobutyric acid, methyl ester
Database identifiers
- CAS
87730-77-6- PubChem CID
- 536748
- DTXSID
DTXSID70336848
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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