Basic information
- CAS
18913-74-1- Standard SMILES
COC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]- InChIKey
OGBDJCLSUZCLLV-UHFFFAOYSA-N- Molecular formula
- C5H8N2O6
- Average molar mass
- 192.13 g/mol
- Monoisotopic mass
- 192.03823598
Names & identifiers
- Preferred name
- Methyl 4,4-dinitrobutanoate
- IUPAC
- methyl 4,4-dinitrobutanoate
Names & synonyms
methyl 4,4-dinitrobutanoate18913-74-1BUTYRIC ACID, 4,4-DINITRO-, METHYL ESTERNSC-76711C776KP2DWGDTXSID30940425RefChem:1089428DTXCID809925704,4-Dinitrobutyric acid methyl esterNSC 76711BRN 17936134-02-00-00841 (Beilstein Handbook Reference)
Show more names
methylgamma,gamma-dinitrobutyrateNSC76711Butanoic acid, 4,4-dinitro-, methyl esterDS-010624
Database identifiers
- CAS
18913-74-1- PubChem CID
- 29332
- DTXSID
DTXSID30940425- UNII
- C776KP2DWG
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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