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2-Furancarboxamide
CAS: 609-38-1 | C5H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
609-38-1
Molecular Formula:
C5H5NO2
Molecular Weight:
111.09999999999997 g/mol
Names and Synonyms:
2-Furancarboxamide
NSC 9351
2-Furylamide
Furfurylamide
Furamide
2-Furamide
2-Furancarboxamide
Identifiers:
SMILES:
NC(=O)c1ccco1
InChI:
InChI=1S/C5H5NO2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 111.10 g/mol | Legacy Database |
| cas-canonical-smile | O=C(N)C=1OC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H5NO2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=TVFIYRKPCACCNL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 142 °C None | Legacy Database |
| cas-name | 2-Furancarboxamide None | Legacy Database |
| LogP | 0.37850000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 111.09999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 111.0320284 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 56.230000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.2259 | RDKit |
