Basic information
- CAS
18944-14-4- Standard SMILES
COC(=O)c1ccc(C=Cc2ccc([N+](=O)[O-])o2)o1- InChIKey
YDJPHSNZGRVPCK-UHFFFAOYSA-N- Molecular formula
- C12H9NO6
- Average molar mass
- 263.2 g/mol
- Monoisotopic mass
- 263.04298701
Names & identifiers
- Preferred name
- Methyl-5-(2-(5-nitro-2-furyl)vinyl)-2-furoate
- IUPAC
- methyl 5-[2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate
Names & synonyms
Oprea1_434146orb1702226SCHEMBL17008472DTXSID801140061DB-263433methyl-5-(2-(5-nitro-2-furyl)vinyl)-2-furoateMethyl 5-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate2-Furancarboxylic acid, 5-[2-(5-nitro-2-furanyl)ethenyl]-, methyl ester, (Z)-18944-14-4
Database identifiers
- CAS
18944-14-4- PubChem CID
- 2295
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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