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2-Furancarboxylic Acid, Hydrazide
CAS: 3326-71-4 | C5H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3326-71-4
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.11499999999997 g/mol
Names and Synonyms:
2-Furancarboxylic Acid, Hydrazide
2-Furanoylhydrazide
2-(Hydrazinocarbonyl)furan
Idv 90
Furan-2-carboxylic hydrazide
NSC 35574
NSC 11957
Pyromucic acid hydrazide
2-Furancarbonyl hydrazide
2-Furoylhydrazine
2-Furancarbohydrazide
2-Furoic hydrazide
2-Furylcarbonylhydrazide
2-Furylcarboxylic acid hydrazide
2-Furancarbohydrazonic acid
2-Furancarboxylic acid hydrazide
2-Furoic acid, hydrazide
2-Furancarboxylic acid, hydrazide
Identifiers:
SMILES:
NNC(=O)c1ccco1
InChI:
InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
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 |
|---|
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 | 126.12 g/mol | Legacy Database |
| cas-boiling-point | 159-159.5 °C None | Legacy Database |
| cas-canonical-smile | O=C(NN)C=1OC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=SKTSVWWOAIAIKI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 77 °C None | Legacy Database |
| cas-name | 2-Furancarboxylic acid, hydrazide None | Legacy Database |
| LogP | -0.11690000000000039 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 126.11499999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 126.042927432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 68.25999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.361600000000003 | RDKit |
