Basic information
- CAS
21985-86-4- Standard SMILES
O=C(OC1C=CCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
SZTHAWZHGAJPPC-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- Cyclopent-2-en-1-yl 4-nitrobenzoate
- IUPAC
- cyclopent-2-en-1-yl 4-nitrobenzoate
Names & synonyms
cyclopent-2-en-1-yl 4-nitrobenzoate21985-86-4DTXSID40301927RefChem:335821DTXCID70253061NSC147464NSC-147464
Database identifiers
- CAS
21985-86-4- PubChem CID
- 287429
- DTXSID
DTXSID40301927- Nikkaji
- J469.897E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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