5-Nitro-2-furanacrylic acid, methyl ester
Basic information
- CAS
1874-24-4- Standard SMILES
COC(=O)/C=C/c1ccc([N+](=O)[O-])o1- InChIKey
JZRVJMACQGFSRG-HWKANZROSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- 5-Nitro-2-furanacrylic acid, methyl ester
- IUPAC
- methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
- English name
- 3-(5-Nitro-2-furanyl)propane-2-enoic acid methyl ester
- Molecular weight
- 197.15
Names & synonyms
1874-24-45-Nitro-2-furanacrylic acid, methyl esterMethyl 3-(5-nitrofuran-2-yl)acrylateCCRIS 5634Methyl 5-nitro-2-furanacrylateBRN 01746805-Nitro-2-furanacrylic acid methyl ester5-Nitro-2-furylacrylic acid, methyl ester2-Propenoic acid, 3-(5-nitro-2-furanyl)-, methyl estermethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate2-FURANACRYLIC ACID, 5-NITRO-, METHYL ESTER3-(5-Nitro-2-furanyl)-2-propenoic acid methyl ester
Show more names
METHYL 3-(5-NITRO-2-FURYL)ACRYLATE3-(5-Nitro-2-furyl)acrylic acid methyl esterβ-(5-Nitrofuran-2-yl)acrylic acid methyl ester3-(5-Nitro-2-furyl)propenoic acid methyl ester
3-(5-Nitro-2-furanyl)propane-2-enoic acid methyl ester5-18-06-00316 (Beilstein Handbook Reference)DTXSID40879353AKOS0172794981-(5-NO2-2-furyl)-2-(COO-Me)ethylenemethyl (2E)-3-(5-nitro-2-furyl)-2-propenoateMethyl (2E)-3-(5-nitrofuran-2-yl)prop-2-enoate
Database identifiers
- CAS
1874-24-4- PubChem CID
- 6019481
- DTXSID
DTXSID40879353- Nikkaji
- J75.464A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 146 · 146-148 °C(Solvent: Water; Ethanol)
- Boiling point
- 305.078 · 305.078±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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