Basic information
- CAS
77795-25-6- Standard SMILES
O=C1CC[C@@H](C(=O)Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N1- InChIKey
OHQGNVGQELARTB-LURJTMIESA-N- Molecular formula
- C11H8N4O9
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 340.02912785
Names & identifiers
- Preferred name
- 2,4,6-Trinitrophenyl 5-oxo-L-prolinate
- IUPAC
- (2,4,6-trinitrophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
- English name
- 2,4,6-trinitrophenyl 5-oxo-L-prolinate
- Molecular formula
- C11H8N4O9
- Molecular weight
- 340.20262
Names & synonyms
2,4,6-Trinitrophenyl 5-oxo-L-prolinate77795-25-6EINECS 278-769-9DTXSID90228418OHQGNVGQELARTB-LURJTMIESA-NNS000379505-Oxo-L-proline 2,4,6-trinitrophenyl esterL-Proline, 5-oxo-,2,4,6-trinitrophenyl ester(2,4,6-trinitrophenyl) (2S)-5-oxopyrrolidine-2-carboxylate
Database identifiers
- CAS
77795-25-6- PubChem CID
- 44152001
- DTXSID
DTXSID90228418- EC Number
- 278-769-9
- Nikkaji
- J319.691G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 554
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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