Basic information
- CAS
54619-90-8- Standard SMILES
C=CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
HUQSUNYFBNIPTL-UHFFFAOYSA-N- Molecular formula
- C10H8N2O6
- Average molar mass
- 252.18 g/mol
- Monoisotopic mass
- 252.03823598
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dinitro, allyl ester
- IUPAC
- prop-2-enyl 3,5-dinitrobenzoate
Names & synonyms
Benzoic acid, 3,5-dinitro, allyl ester54619-90-8DTXSID40335924RefChem:327087DTXCID20287013HUQSUNYFBNIPTL-UHFFFAOYSA-N2-Propenyl 3,5-dinitrobenzoatePROP-2-EN-1-YL 3,5-DINITROBENZOATESCHEMBL5708183
Database identifiers
- CAS
54619-90-8- PubChem CID
- 528005
- DTXSID
DTXSID40335924- Nikkaji
- J1.730.892K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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