Butyric acid, 4,4,4-trinitro-, cyclopentyl ester
Basic information
- CAS
15421-48-4- Standard SMILES
O=C(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC1CCCC1- InChIKey
XGCNTIKFYWHBCB-UHFFFAOYSA-N- Molecular formula
- C9H13N3O8
- Average molar mass
- 291.21 g/mol
- Monoisotopic mass
- 291.07026438
Names & identifiers
- Preferred name
- Butyric acid, 4,4,4-trinitro-, cyclopentyl ester
- IUPAC
- cyclopentyl 4,4,4-trinitrobutanoate
Names & synonyms
4,4,4-Trinitrobutyric acid cyclopentyl esterBUTYRIC ACID, 4,4,4-TRINITRO-, CYCLOPENTYL ESTER15421-48-4DTXSID40165566RefChem:331282DTXCID9088057cyclopentyl 4,4,4-trinitrobutanoate
Database identifiers
- CAS
15421-48-4- PubChem CID
- 27274
- DTXSID
DTXSID40165566
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
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Related reactions
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Compound notes
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