Methyl 7-nitrohept-6-enoate
Basic information
- CAS
61379-36-0- Standard SMILES
COC(=O)CCCCC=C[N+](=O)[O-]- InChIKey
ZIQDYLPMRBULKM-UHFFFAOYSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Names & identifiers
- Preferred name
- Methyl 7-nitrohept-6-enoate
- IUPAC
- methyl 7-nitrohept-6-enoate
Names & synonyms
METHYL 7-NITROHEPT-6-ENOATE61379-36-0DTXSID80712139RefChem:356418DTXCID60662885SCHEMBL11754357
Database identifiers
- CAS
61379-36-0- PubChem CID
- 54549075
- DTXSID
DTXSID80712139
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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