Basic information
- CAS
13880-90-5- Standard SMILES
CCC(C)(N=O)OC(C)=O- InChIKey
VUTMDYLPKCXLEP-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Names & identifiers
- Preferred name
- 1-Methyl-1-nitrosopropyl acetate
- IUPAC
- 2-nitrosobutan-2-yl acetate
Names & synonyms
VUTMDYLPKCXLEP-UHFFFAOYSA-N1-Methyl-1-nitrosopropyl acetate #2-Butanol, 2-nitroso-, acetate (ester)
Database identifiers
- CAS
13880-90-5- PubChem CID
- 537893
- Nikkaji
- J101.398J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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