Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
Basic information
- CAS
93475-86-6- Standard SMILES
CCOC(=O)C(=O)Cc1nc(OCC)nc(OCC)c1[N+](=O)[O-]- InChIKey
FZHPUHZBNFUQMM-UHFFFAOYSA-N- Molecular formula
- C13H17N3O7
- Average molar mass
- 327.29 g/mol
- Monoisotopic mass
- 327.10664989
Names & identifiers
- Preferred name
- Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
- IUPAC
- ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
Names & synonyms
ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate93475-86-6NSC91444DTXSID10293683NSC-91444DS-0154424-Pyrimidinepropanoicacid, 2,6-diethoxy-5-nitro-a-oxo-, ethyl ester
Database identifiers
- CAS
93475-86-6- PubChem CID
- 260352
- DTXSID
DTXSID10293683
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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