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Molecule
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 Mass
- 126.12 g/mol
Identifiers
CAS Registry Number
3326-71-4
SMILES
NNC(=O)c1ccco1
InChI Key
SKTSVWWOAIAIKI-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
Names and Synonyms
- 2-Furancarboxylic Acid, Hydrazide Systematic Name
- 2-Furancarboxylic acid, hydrazide Synonym
- 2-Furoic acid, hydrazide Synonym
- 2-Furancarboxylic acid hydrazide Synonym
- 2-Furancarbohydrazonic acid Synonym
- 2-Furylcarboxylic acid hydrazide Synonym
- 2-Furylcarbonylhydrazide Synonym
- 2-Furoic hydrazide Synonym
- 2-Furancarbohydrazide Synonym
- 2-Furoylhydrazine Synonym
- 2-Furancarbonyl hydrazide Synonym
- Pyromucic acid hydrazide Synonym
- NSC 11957 Synonym
- NSC 35574 Synonym
- Furan-2-carboxylic hydrazide Synonym
- Idv 90 Synonym
- 2-(Hydrazinocarbonyl)furan Synonym
- 2-Furanoylhydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.12 g/mol | CAS Common Chemistry |
| 126.11499999999997 g/mol | RDKit | |
| 126.115 g/mol | RDKit | |
| Boiling Point | 159-159.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)C=1OC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=SKTSVWWOAIAIKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | 2-Furancarboxylic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 68.25999999999999 Ų | RDKit |
| 68.26 Ų | RDKit | |
| LogP | -0.11690000000000039 | RDKit |
| -0.1169 | RDKit | |
| Molar Refractivity | 30.361600000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.042927432 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 = 126.12 g/mol. Edit any field — others recompute live.
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