Basic information
- CAS
17202-83-4- Standard SMILES
C=C1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)C1- InChIKey
YYWPEQFWASGYOZ-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- (3-Methylidenecyclobutyl) 4-nitrobenzoate
- IUPAC
- (3-methylidenecyclobutyl) 4-nitrobenzoate
Names & synonyms
17202-83-4(3-methylidenecyclobutyl) 4-nitrobenzoateNSC249808DTXSID903121043-Methylidenecyclobutyl 4-nitrobenzoateNSC-2498083-METHYLENECYCLOBUTANOL, 4-NITROBENZOATE
Database identifiers
- CAS
17202-83-4- PubChem CID
- 317544
- DTXSID
DTXSID90312104
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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