Cinnamonitrile, o-nitro-
Basic information
- CAS
55000-26-5- Standard SMILES
N#C/C=C/c1ccccc1[N+](=O)[O-]- InChIKey
PYFAAUHTCQDTSQ-HWKANZROSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292744
Names & identifiers
- Preferred name
- Cinnamonitrile, o-nitro-
- IUPAC
- (E)-3-(2-nitrophenyl)prop-2-enenitrile
Names & synonyms
CINNAMONITRILE, o-NITRO-55000-26-5RefChem:1081882o-Nitrocinnamonitrile2-Propenenitrile, 3-(2-nitrophenyl)-3-(2-Nitro-phenyl)-acrylonitrile(2E)-3-(2-nitrophenyl)prop-2-enenitrileSCHEMBL1343573AKOS008968183ST023771
Database identifiers
- CAS
55000-26-5- PubChem CID
- 6187464
- Nikkaji
- J3.634.447D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 259
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…