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Molecule
2-Furancarboxamide
CAS: 609-38-1 · C5H5NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 609-38-1
- Molecular Formula
- C5H5NO2
- Molecular Mass
- 111.10 g/mol
Identifiers
CAS Registry Number
609-38-1
SMILES
NC(=O)c1ccco1
InChI Key
TVFIYRKPCACCNL-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
Names and Synonyms
- 2-Furancarboxamide Systematic Name
- 2-Furancarboxamide Synonym
- 2-Furamide Synonym
- Furamide Synonym
- Furfurylamide Synonym
- 2-Furylamide Synonym
- NSC 9351 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.10 g/mol | CAS Common Chemistry |
| 111.09999999999997 g/mol | RDKit | |
| 111.1 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C=1OC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5NO2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=TVFIYRKPCACCNL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142 °C | CAS Common Chemistry |
| Name | 2-Furancarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.230000000000004 Ų | RDKit |
| 56.23 Ų | RDKit | |
| LogP | 0.37850000000000006 | RDKit |
| 0.3785 | RDKit | |
| Molar Refractivity | 27.2259 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 111.0320284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 111.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5NO2.
