Basic information
- CAS
97461-43-3- Standard SMILES
COC(=O)C(C)=Cc1ccc([N+](=O)[O-])o1- InChIKey
JYNVRRQCZATZKK-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester
- IUPAC
- methyl 2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
Names & synonyms
alpha-Methyl-5-nitro-2-furanacrylic acid, methyl ester97461-43-3CCRIS 5659BRN 00147762-Methyl-3-(5-nitro-2-furanyl)-2-propenoic acid methyl ester2-Propenoic acid, 2-methyl-3-(5-nitro-2-furanyl)-, methyl ester4-18-00-04173 (Beilstein Handbook Reference)
Database identifiers
- CAS
97461-43-3- PubChem CID
- 94708
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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