Basic information
- CAS
49794-90-3- Standard SMILES
CC=CC(=O)Oc1c(CCCCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
PMSYHBINVYHTNN-UHFFFAOYSA-N- Molecular formula
- C18H24N2O6
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.16343649
Names & identifiers
- Preferred name
- 2,4-Dinitro-6-octylphenyl crotonate
- IUPAC
- (2,4-dinitro-6-octylphenyl) but-2-enoate
Names & synonyms
2,4-Dinitro-6-octylphenyl crotonate49794-90-3SCHEMBL906419DTXSID40413652,4-Dinitro-6-octylphenyl but-2-enoate
Database identifiers
- CAS
49794-90-3- PubChem CID
- 65291
- DTXSID
DTXSID4041365
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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