Basic information
- CAS
33322-20-2- Standard SMILES
CC(=Cc1ccco1)[N+](=O)[O-]- InChIKey
ZJQJRPWHHXBVQO-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Overview
secondary product from extracted sugarcane; structure given in first source
Names & identifiers
- Preferred name
- 2-(2-Nitro-1-propen-1-yl)furan
- IUPAC
- 2-(2-nitroprop-1-enyl)furan
Names & synonyms
33322-20-2DTXSID7010350992-(2-NITRO-1-PROPENYL)FURANUC-244RefChem:909165DTXCID0015195552-(2-Nitro-1-propen-1-yl)furan2-(2-nitroprop-1-enyl)furan2-(2-Nitroprop-1-en-1-yl)furan2-(2-Nitropropenyl)furanSCHEMBL4215748AKOS017433704
Database identifiers
- CAS
33322-20-2- PubChem CID
- 36409
- DTXSID
DTXSID701035099
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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